https://github.com/adicksonlab/wepy

Weighted Ensemble simulation framework in Python

Science Score: 49.0%

This score indicates how likely this project is to be science-related based on various indicators:

○
CITATION.cff file
✓
codemeta.json file
Found codemeta.json file
✓
.zenodo.json file
Found .zenodo.json file
✓
DOI references
Found 7 DOI reference(s) in README
✓
Academic publication links
Links to: pubmed.ncbi, ncbi.nlm.nih.gov, acs.org, zenodo.org
○
Academic email domains
○
Institutional organization owner
○
JOSS paper metadata
○
Scientific vocabulary similarity
Low similarity (18.2%) to scientific vocabulary

Keywords

enhanced-sampling molecular-dynamics simulation weighted-ensemble

Last synced: 5 months ago · JSON representation

Repository

Weighted Ensemble simulation framework in Python

Basic Info

Host: GitHub
Owner: ADicksonLab
License: mit
Language: Python
Default Branch: master
Homepage: https://adicksonlab.github.io/wepy/
Size: 49.3 MB

Statistics

Stars: 56
Watchers: 9
Forks: 21
Open Issues: 35
Releases: 6

Topics

enhanced-sampling molecular-dynamics simulation weighted-ensemble

Created over 8 years ago · Last pushed 6 months ago

Metadata Files

Readme Contributing License Authors Zenodo

README.org

* Weighted Ensemble Python (wepy)

  #+ATTR_HTML: title="Join the chat at https://gitter.im/wepy/general"
  [[https://gitter.im/wepy/general?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge][file:https://badges.gitter.im/wepy/general.svg]]

[[./info/logo/wepy.svg]]

# trying to make a zenodo badge but github doesn't support this
# directly. Would have to add a separate build step for this.
#+begin_export html

#+end_export

[[https://adicksonlab.github.io/wepy/index.html][Sphinx Documentation]]

[[https://github.com/ADicksonLab/wepy/blob/master/info/README.org][Plaintext Org-Mode Docs]]

Modular implementation and framework for running weighted ensemble (WE)
simulations in pure python, where the aim is to have simple things
simple and complicated things possible. The latter being the priority.

The goal of the architecture is that it should be highly modular to
allow extension, but provide a "killer app" for most uses that just
works, no questions asked.

Comes equipped with support for [[https://github.com/pandegroup/openmm][OpenMM]] molecular dynamics,
parallelization using multiprocessing, the [[http://pubs.acs.org/doi/abs/10.1021/jp411479c][WExplore]] 
and [[https://pubmed.ncbi.nlm.nih.gov/31255090/][REVO]] (Resampling Ensembles by Variance Optimization) resampling
algorithms, and an HDF5 file format and library for storing and
querying your WE datasets that can be used from the command line.

The deeper architecture of ~wepy~ is intended to be loosely coupled,
so that unforeseen use cases can be accomodated, but tightly
integrated for the most common of use cases, i.e. molecular dynamics.

This allows freedom for fast development of new methods.

Full [[https://github.com/ADicksonLab/wepy/blob/master/info/introduction.org][introduction]].

** Installation

Also see: [[info/installation.org][Installation Instructions]]

We recommend running this version of `wepy` in a conda environment using `python=3.10` or greater:

#+BEGIN_SRC bash
  conda create -n wepy python=3.10
  conda activate wepy
#+END_SRC

Next, install `wepy` with pip:

#+BEGIN_SRC bash
  pip install wepy
#+END_SRC

which will also install most dependencies.

Alternatively, the latest version of `wepy` can be installed from the git repo source:
#+BEGIN_SRC bash
  git clone https://github.com/ADicksonLab/wepy.git
  cd wepy
  pip install . 
#+END_SRC

The OpenMM package can then be installed using conda:

#+BEGIN_SRC bash
  conda install -c conda-forge openmm
#+END_SRC

Check its installed by running the command line interface:

#+begin_src bash :tangle check_installation.bash
wepy --help
#+end_src

** Citations

Current [[https://zenodo.org/badge/latestdoi/101077926][Zenodo DOI]].

Cite software as:

#+begin_example
Samuel D. Lotz, Nazanin Donyapour, Alex Dickson, Tom Dixon, Nicole Roussey, & Rob Hall. (2020, August 4). ADicksonLab/wepy: 1.0.0 Major version release (Version v1.0.0). Zenodo. http://doi.org/10.5281/zenodo.3973431
#+end_example

Accompanying journal article:

- [[https://pubs.acs.org/doi/abs/10.1021/acsomega.0c03892][ACS Omega]] article

Owner

Name: ADicksonLab
Login: ADicksonLab
Kind: organization

Repositories: 25
Profile: https://github.com/ADicksonLab

GitHub Events

Total

Issues event: 2
Watch event: 5
Delete event: 6
Issue comment event: 8
Push event: 17
Pull request review comment event: 3
Pull request review event: 11
Pull request event: 12
Create event: 6

Last Year

Issues event: 2
Watch event: 5
Delete event: 6
Issue comment event: 8
Push event: 17
Pull request review comment event: 3
Pull request review event: 11
Pull request event: 12
Create event: 6

Issues and Pull Requests

Last synced: 6 months ago

All Time

Total issues: 58
Total pull requests: 82
Average time to close issues: 10 months
Average time to close pull requests: 4 months
Total issue authors: 8
Total pull request authors: 11
Average comments per issue: 0.79
Average comments per pull request: 0.89
Merged pull requests: 44
Bot issues: 0
Bot pull requests: 20

Past Year

Issues: 2
Pull requests: 13
Average time to close issues: 33 minutes
Average time to close pull requests: 12 days
Issue authors: 2
Pull request authors: 4
Average comments per issue: 0.5
Average comments per pull request: 0.54
Merged pull requests: 7
Bot issues: 0
Bot pull requests: 2

View more stats

Top Authors

Issue Authors

salotz (27)
salotz-sitx (15)
alexrd (6)
ndonyapour (2)
SamikBose (2)
dixonth1silicon (2)
BK33333 (2)
kilince (2)

Pull Request Authors

dependabot[bot] (20)
alexrd (18)
salotz (18)
berkatik (12)
salotz-sitx (4)
ndonyapour (3)
kilince (2)
dixonth1 (2)
gitter-badger (1)
edeustua (1)
atbogetti (1)

Top Labels

Issue Labels

enhancement (25) bug (10) documentation (4) dependencies (4) breaking (2) devex (2) need-repro (2) distribution (1)

Pull Request Labels

dependencies (20) python (19) bug (3) enhancement (3) documentation (2) need-repro (1) devex (1) invalid (1)

Packages

Total packages: 1
Total downloads:
- pypi 110 last-month

Total dependent packages: 0
Total dependent repositories: 5
Total versions: 25
Total maintainers: 2

pypi.org: wepy

Weighted Ensemble Framework

Documentation: https://adicksonlab.github.io/wepy/index.html
License: MIT License
Latest release: 1.1.0
published almost 5 years ago

Versions: 25
Dependent Packages: 0
Dependent Repositories: 5
Downloads: 110 Last month

Rankings

Dependent repos count: 6.7%

Forks count: 8.4%

Stargazers count: 9.9%

Dependent packages count: 10.0%

Average: 11.9%

Downloads: 24.4%

Maintainers (2)

salotz alexrd

Last synced: 6 months ago

Dependencies

.jubeo/requirements.in pypi

coverage *
fabric *
ghp-import *
invoke *
jubeo *
lxdock *
pip-tools *
pytest *
pytest-runner *
versioneer *

.jubeo/requirements.txt pypi

attrs ==19.3.0
bcrypt ==3.1.7
certifi ==2020.4.5.1
cffi ==1.14.0
chardet ==3.0.4
click ==7.1.2
colorlog ==2.10.0
coverage ==5.1
cryptography ==2.9.2
fabric ==2.5.0
ghp-import ==0.5.5
gitdb ==4.0.5
gitpython ==3.1.2
hyperlink ==19.0.0
idna ==2.9
invoke ==1.4.1
jubeo ==0.0.3a0.dev0
lxdock ==0.4.1
more-itertools ==8.2.0
packaging ==20.3
paramiko ==2.7.1
pbr ==5.4.5
pip-tools ==5.1.2
pluggy ==0.13.1
py ==1.8.1
pycparser ==2.20
pylxd ==2.2.10
pynacl ==1.3.0
pyparsing ==2.4.7
pytest ==5.4.2
pytest-runner ==5.2
python-dateutil ==2.8.1
python-dotenv ==0.13.0
pyyaml ==3.13
requests ==2.23.0
requests-toolbelt ==0.9.1
requests-unixsocket ==0.2.0
six ==1.14.0
smmap ==3.0.4
toml ==0.10.0
urllib3 ==1.25.9
versioneer ==0.18
voluptuous ==0.11.7
wcwidth ==0.1.9
ws4py ==0.5.1

.jubeo/tools.requirements.txt pypi

pip *

envs/dev/requirements.in pypi

argcomplete * development
asv * development
coverage * development
flake8 * development
interrogate * development
ipython * development
lizard * development
multiprocessing_logging * development
nbsphinx * development
notebook * development
nox * development
pdbpp * development
remote-pdb * development
sphinx * development
sphinxcontrib-bibtex * development
sphinxcontrib-napoleon * development
sphinxcontrib-newsfeed * development
twine * development
virtualenv * development
wheel * development

envs/dev/requirements.txt pypi

179 dependencies

envs/dev/tools.requirements.txt pypi

pip * development

envs/simultaneous_dev/requirements.in pypi

argcomplete * development
asv * development
coverage * development
flake8 * development
interrogate * development
ipython * development
lizard * development
multiprocessing_logging * development
nbsphinx * development
notebook * development
nox * development
pdbpp * development
remote-pdb * development
sphinx * development
sphinxcontrib-bibtex * development
sphinxcontrib-napoleon * development
sphinxcontrib-newsfeed * development
twine * development
virtualenv * development
wheel * development

envs/simultaneous_dev/requirements.txt pypi

169 dependencies

envs/simultaneous_dev/tools.requirements.txt pypi

pip ==20.1.1 development

envs/test/requirements.in pypi

pytest * test
pytest-benchmark * test
pytest-check * test
pytest-cov * test
pytest-html * test
pytest-mock * test
pytest-print * test
pytest-profiling * test
pytest-runner * test
pytest-shutil * test

envs/test/requirements.txt pypi

apipkg ==1.5 test
attrs ==19.3.0 test
contextlib2 ==0.6.0.post1 test
coverage ==5.1 test
execnet ==1.7.1 test
gprof2dot ==2019.11.30 test
importlib-metadata ==1.6.0 test
mock ==4.0.2 test
more-itertools ==8.2.0 test
packaging ==20.3 test
path ==13.1.0 test
path.py ==12.4.0 test
pluggy ==0.13.1 test
py ==1.8.1 test
py-cpuinfo ==5.0.0 test
pyparsing ==2.4.7 test
pytest ==5.4.1 test
pytest-benchmark ==3.2.3 test
pytest-cov ==2.8.1 test
pytest-html ==2.1.1 test
pytest-metadata ==1.8.0 test
pytest-mock ==3.1.0 test
pytest-print ==0.1.3 test
pytest-profiling ==1.7.0 test
pytest-runner ==5.2 test
pytest-shutil ==1.7.0 test
six ==1.14.0 test
termcolor ==1.1.0 test
wcwidth ==0.1.9 test
zipp ==3.1.0 test

info/examples/Lennard_Jones_Pair/env/requirements.in pypi

invoke *
ipython *
mdtraj *
multiprocessing_logging *
numpy *
pdbpp *
scipy *
wepy *

info/examples/Lennard_Jones_Pair/env/requirements.txt pypi

backcall ==0.1.0
boltons ==20.2.0
click ==7.1.1
cloudpickle ==1.3.0
cycler ==0.10.0
dask ==2.14.0
decorator ==4.4.2
dill ==0.3.1.1
eliot ==1.12.0
fancycompleter ==0.9.1
fsspec ==0.7.2
h5py ==2.10.0
invoke ==1.4.1
ipython ==7.13.0
ipython-genutils ==0.2.0
jedi ==0.17.0
jinja2 ==2.11.2
kiwisolver ==1.2.0
locket ==0.2.0
markupsafe ==1.1.1
matplotlib ==3.2.1
mdtraj ==1.9.3
multiprocessing-logging ==0.3.1
networkx ==2.3
numpy ==1.18.2
pandas ==1.0.3
parso ==0.7.0
partd ==1.1.0
pdbpp ==0.10.2
pexpect ==4.8.0
pickleshare ==0.7.5
pint ==0.11
prometheus-client ==0.8.0
prompt-toolkit ==3.0.5
ptyprocess ==0.6.0
pygments ==2.6.1
pympler ==0.8
pyparsing ==2.4.7
pyrepl ==0.9.0
pyrsistent ==0.16.0
python-dateutil ==2.8.1
pytz ==2019.3
scipy ==1.4.1
six ==1.14.0
tabulate ==0.8.7
toolz ==0.10.0
traitlets ==4.3.3
wcwidth ==0.1.9
wepy ==1.0.0
wmctrl ==0.3
zope.interface ==5.1.0

info/examples/Lysozyme/env/requirements.in pypi

multiprocessing_logging *

info/examples/Lysozyme/env/requirements.txt pypi

boltons ==20.2.0
click ==7.1.1
cloudpickle ==1.3.0
cycler ==0.10.0
dask ==2.14.0
decorator ==4.4.2
dill ==0.3.1.1
eliot ==1.12.0
fsspec ==0.7.2
h5py ==2.10.0
jinja2 ==2.11.2
kiwisolver ==1.2.0
locket ==0.2.0
markupsafe ==1.1.1
matplotlib ==3.2.1
mdtraj ==1.9.3
multiprocessing-logging ==0.3.1
networkx ==2.3
numpy ==1.18.3
pandas ==1.0.3
partd ==1.1.0
pint ==0.11
prometheus-client ==0.8.0
pympler ==0.8
pyparsing ==2.4.7
pyrsistent ==0.16.0
python-dateutil ==2.8.1
pytz ==2019.3
scipy ==1.4.1
six ==1.14.0
tabulate ==0.8.7
toolz ==0.10.0
wepy ==1.0.0
zope.interface ==5.1.0

info/examples/RandomWalk/env/requirements.in pypi

numpy *
wepy *

info/examples/RandomWalk/env/requirements.txt pypi

boltons ==20.2.0
click ==7.1.2
cycler ==0.10.0
decorator ==4.4.2
dill ==0.3.2
eliot ==1.12.0
geomm ==0.1.7
h5py ==2.10.0
importlib-metadata ==1.7.0
jinja2 ==2.11.2
kiwisolver ==1.2.0
markupsafe ==1.1.1
matplotlib ==3.3.0
multiprocessing-logging ==0.3.1
networkx ==2.3
numpy ==1.18.3
packaging ==20.4
pandas ==1.1.0
pillow ==7.2.0
pint ==0.14
pyparsing ==2.4.7
pyrsistent ==0.16.0
python-dateutil ==2.8.1
pytz ==2020.1
scipy ==1.5.2
six ==1.15.0
tabulate ==0.8.7
wepy ==1.0.0
zipp ==3.1.0
zope.interface ==5.1.0

info/tutorials/Orchestrator/env/requirements.in pypi

mdtraj *
numpy *
scipy *
wepy *

info/tutorials/Orchestrator/env/requirements.txt pypi

click ==7.1.1
cloudpickle ==1.3.0
cycler ==0.10.0
dask ==2.14.0
decorator ==4.4.2
dill ==0.3.1.1
fsspec ==0.7.2
h5py ==2.10.0
jinja2 ==2.11.2
kiwisolver ==1.2.0
locket ==0.2.0
markupsafe ==1.1.1
matplotlib ==3.2.1
mdtraj ==1.9.3
multiprocessing-logging ==0.3.1
networkx ==2.3
numpy ==1.18.3
pandas ==1.0.3
partd ==1.1.0
pint ==0.11
pyparsing ==2.4.7
python-dateutil ==2.8.1
pytz ==2019.3
scipy ==1.4.1
six ==1.14.0
tabulate ==0.8.7
toolz ==0.10.0

info/tutorials/data_analysis/env/requirements.in pypi

invoke *
jupyter *
mdtraj *
nglview *
numpy *
pillow *
scipy *
sklearn *
wepy *

info/tutorials/data_analysis/env/requirements.txt pypi

attrs ==19.3.0
backcall ==0.1.0
bleach ==3.1.4
click ==7.1.2
cloudpickle ==1.4.0
cycler ==0.10.0
dask ==2.15.0
decorator ==4.4.2
defusedxml ==0.6.0
dill ==0.3.1.1
entrypoints ==0.3
fsspec ==0.7.3
h5py ==2.10.0
importlib-metadata ==1.6.0
invoke ==1.4.1
ipykernel ==5.2.1
ipython ==7.13.0
ipython-genutils ==0.2.0
ipywidgets ==7.5.1
jedi ==0.17.0
jinja2 ==2.11.2
joblib ==0.14.1
jsonschema ==3.2.0
jupyter ==1.0.0
jupyter-client ==6.1.3
jupyter-console ==6.1.0
jupyter-core ==4.6.3
kiwisolver ==1.2.0
locket ==0.2.0
markupsafe ==1.1.1
matplotlib ==3.2.1
mdtraj ==1.9.3
mistune ==0.8.4
multiprocessing-logging ==0.3.1
nbconvert ==5.6.1
nbformat ==5.0.6
networkx ==2.3
nglview ==2.7.5
notebook ==6.0.3
numpy ==1.18.3
pandas ==1.0.3
pandocfilters ==1.4.2
parso ==0.7.0
partd ==1.1.0
pexpect ==4.8.0
pickleshare ==0.7.5
pillow ==7.1.2
pint ==0.11
prometheus-client ==0.7.1
prompt-toolkit ==3.0.5
ptyprocess ==0.6.0
pygments ==2.6.1
pyparsing ==2.4.7
pyrsistent ==0.16.0
python-dateutil ==2.8.1
pytz ==2020.1
pyzmq ==19.0.0
qtconsole ==4.7.3
qtpy ==1.9.0
scikit-learn ==0.22.2.post1
scipy ==1.4.1
send2trash ==1.5.0
six ==1.14.0
sklearn ==0.0
tabulate ==0.8.7
terminado ==0.8.3
testpath ==0.4.4
toolz ==0.10.0
tornado ==6.0.4
traitlets ==4.3.3
wcwidth ==0.1.9
webencodings ==0.5.1
widgetsnbextension ==3.5.1
zipp ==3.1.0

info/tutorials/extended_test_drive/env/requirements.in pypi

ipython * test
wepy * test

info/tutorials/extended_test_drive/env/requirements.txt pypi

astor ==0.8.1 test
backcall ==0.2.0 test
boltons ==20.2.0 test
click ==7.1.2 test
cycler ==0.10.0 test
decorator ==4.4.2 test
dill ==0.3.2 test
eliot ==1.12.0 test
geomm ==0.1.7 test
h5py ==2.10.0 test
importlib-metadata ==1.7.0 test
ipython ==7.17.0 test
ipython-genutils ==0.2.0 test
jedi ==0.17.2 test
jinja2 ==2.11.2 test
kiwisolver ==1.2.0 test
markupsafe ==1.1.1 test
matplotlib ==3.3.0 test
mdtraj ==1.9.4 test
multiprocessing-logging ==0.3.1 test
networkx ==2.3 test
numpy ==1.19.1 test
openmm-systems ==0.0.0 test
packaging ==20.4 test
pandas ==1.1.0 test
parso ==0.7.1 test
pexpect ==4.8.0 test
pickleshare ==0.7.5 test
pillow ==7.2.0 test
pint ==0.14 test
prompt-toolkit ==3.0.5 test
ptyprocess ==0.6.0 test
pygments ==2.6.1 test
pyparsing ==2.4.7 test
pyrsistent ==0.16.0 test
python-dateutil ==2.8.1 test
pytz ==2020.1 test
scipy ==1.5.2 test
six ==1.15.0 test
tabulate ==0.8.7 test
traitlets ==4.3.3 test
wcwidth ==0.2.5 test
wepy ==1.0.0 test
zipp ==3.1.0 test
zope.interface ==5.1.0 test

jigs/eliot/env/requirements.txt pypi

eliot *
eliot-tree *
prometheus_client *

jigs/hpcc/env/requirements.in pypi

eliot *
eliot-tree *
filprofiler *
invoke *
ipython *
mdtraj *
multiprocessing_logging *
numpy *
pdbpp *
prometheus_client *
pympler *
scipy *

jigs/hpcc/env/requirements.txt pypi

backcall ==0.1.0
click ==7.1.1
cloudpickle ==1.3.0
cycler ==0.10.0
dask ==2.14.0
decorator ==4.4.2
dill ==0.3.1.1
eliot *
eliot-tree *
fancycompleter ==0.9.1
filprofiler *
fsspec ==0.7.2
h5py ==2.10.0
invoke ==1.4.1
ipython ==7.13.0
ipython-genutils ==0.2.0
jedi ==0.17.0
jinja2 ==2.11.2
kiwisolver ==1.2.0
locket ==0.2.0
markupsafe ==1.1.1
matplotlib ==3.2.1
mdtraj ==1.9.3
multiprocessing-logging ==0.3.1
networkx ==2.3
numpy ==1.18.2
pandas ==1.0.3
parso ==0.7.0
partd ==1.1.0
pdbpp ==0.10.2
pexpect ==4.8.0
pickleshare ==0.7.5
pint ==0.11
prometheus_client *
prompt-toolkit ==3.0.5
ptyprocess ==0.6.0
pygments ==2.6.1
pympler *
pyparsing ==2.4.7
pyrepl ==0.9.0
python-dateutil ==2.8.1
pytz ==2019.3
scipy ==1.4.1
six ==1.14.0
tabulate ==0.8.7
toolz ==0.10.0
traitlets ==4.3.3
wcwidth ==0.1.9
wmctrl ==0.3

jigs/prom/env/requirements.in pypi

eliot *
eliot-tree *
filprofiler *
invoke *
ipython *
mdtraj *
multiprocessing_logging *
numpy *
pdbpp *
prometheus_client *
pympler *
scipy *

jigs/prom/env/requirements.txt pypi

backcall ==0.1.0
click ==7.1.1
cloudpickle ==1.3.0
cycler ==0.10.0
dask ==2.14.0
decorator ==4.4.2
dill ==0.3.1.1
eliot *
eliot-tree *
fancycompleter ==0.9.1
filprofiler *
fsspec ==0.7.2
h5py ==2.10.0
invoke ==1.4.1
ipython ==7.13.0
ipython-genutils ==0.2.0
jedi ==0.17.0
jinja2 ==2.11.2
kiwisolver ==1.2.0
locket ==0.2.0
markupsafe ==1.1.1
matplotlib ==3.2.1
mdtraj ==1.9.3
multiprocessing-logging ==0.3.1
networkx ==2.3
numpy ==1.18.2
pandas ==1.0.3
parso ==0.7.0
partd ==1.1.0
pdbpp ==0.10.2
pexpect ==4.8.0
pickleshare ==0.7.5
pint ==0.11
prometheus_client *
prompt-toolkit ==3.0.5
ptyprocess ==0.6.0
pygments ==2.6.1
pympler *
pyparsing ==2.4.7
pyrepl ==0.9.0
python-dateutil ==2.8.1
pytz ==2019.3
scipy ==1.4.1
six ==1.14.0
tabulate ==0.8.7
toolz ==0.10.0
traitlets ==4.3.3
wcwidth ==0.1.9
wmctrl ==0.3

jigs/trio_mapper/env/requirements.in pypi

eliot *
eliot-tree *
filprofiler *
invoke *
ipython *
mdtraj *
multiprocessing_logging *
numpy *
pdbpp *
prometheus_client *
pympler *
scipy *
trio *

jigs/trio_mapper/env/requirements.txt pypi

backcall ==0.1.0
click ==7.1.1
cloudpickle ==1.3.0
cycler ==0.10.0
dask ==2.14.0
decorator ==4.4.2
dill ==0.3.1.1
eliot *
eliot-tree *
fancycompleter ==0.9.1
filprofiler *
fsspec ==0.7.2
h5py ==2.10.0
invoke ==1.4.1
ipython ==7.13.0
ipython-genutils ==0.2.0
jedi ==0.17.0
jinja2 ==2.11.2
kiwisolver ==1.2.0
locket ==0.2.0
markupsafe ==1.1.1
matplotlib ==3.2.1
mdtraj ==1.9.3
multiprocessing-logging ==0.3.1
networkx ==2.3
numpy ==1.18.2
pandas ==1.0.3
parso ==0.7.0
partd ==1.1.0
pdbpp ==0.10.2
pexpect ==4.8.0
pickleshare ==0.7.5
pint ==0.11
prometheus_client *
prompt-toolkit ==3.0.5
ptyprocess ==0.6.0
pygments ==2.6.1
pympler *
pyparsing ==2.4.7
pyrepl ==0.9.0
python-dateutil ==2.8.1
pytz ==2019.3
scipy ==1.4.1
six ==1.14.0
tabulate ==0.8.7
toolz ==0.10.0
traitlets ==4.3.3
trio *
wcwidth ==0.1.9
wmctrl ==0.3

requirements.in pypi

click *
dask *
dill *
eliot *
h5py <3
jinja2 *
matplotlib *
mdtraj *
multiprocessing_logging *
networkx ==2.3
numpy *
pandas *
pint *
prometheus_client *
pympler *
scipy *
tabulate *

ecosyste.ms

Data

Tools

Indexes

Applications

Experiments

Open Source Science

https://github.com/adicksonlab/wepy

Science Score: 49.0%

Keywords

Repository

Basic Info

Statistics

Topics

Metadata Files

README.org

Owner

GitHub Events

Total

Last Year

Issues and Pull Requests

All Time

Past Year

Top Authors

Issue Authors

Pull Request Authors

Top Labels

Issue Labels

Pull Request Labels

Packages

pypi.org: wepy

Rankings

Maintainers (2)

Dependencies