Science Score: 59.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 5 DOI reference(s) in README -
✓Academic publication links
Links to: arxiv.org, zenodo.org -
✓Committers with academic emails
1 of 7 committers (14.3%) from academic institutions -
○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (12.7%) to scientific vocabulary
Keywords
Repository
adcc: Seamlessly connect your program to ADC
Basic Info
- Host: GitHub
- Owner: adc-connect
- License: gpl-3.0
- Language: Python
- Default Branch: master
- Homepage: https://adc-connect.org
- Size: 1.91 MB
Statistics
- Stars: 37
- Watchers: 9
- Forks: 22
- Open Issues: 39
- Releases: 20
Topics
Metadata Files
README.md
adcc: Seamlessly connect your program to ADC
| Documentation | 
|
| :------ | :------- |
| Build Status | 
|
adcc (ADC-connect) is a Python-based framework for calculating molecular spectra and electronically excited states with the algebraic-diagrammatic construction (ADC) approach.
Arbitrary host programs may be used to supply a self-consistent field (SCF) reference to start off the ADC calculation. Currently adcc comes with ready-to-use interfaces to four programs: PySCF, Psi4, VeloxChem and molsturm. Adding other SCF codes or starting a calculation from statically computed data can be easily achieved.
Try adcc in your browser at https://try.adc-connect.org or take a look at the adcc documentation for more details and installation instructions.
Citation
Paper: | 
If you use adcc, please cite our paper in WIREs Computational Molecular Science. A preprint can be found on HAL or on arXiv.
Owner
- Name: adc-connect
- Login: adc-connect
- Kind: organization
- Website: https://adc-connect.org
- Repositories: 4
- Profile: https://github.com/adc-connect
Seamlessly connect your program to ADC
GitHub Events
Total
- Issues event: 4
- Watch event: 4
- Delete event: 6
- Issue comment event: 34
- Push event: 178
- Pull request review event: 65
- Pull request review comment event: 47
- Pull request event: 24
- Fork event: 1
- Create event: 10
Last Year
- Issues event: 4
- Watch event: 4
- Delete event: 6
- Issue comment event: 34
- Push event: 178
- Pull request review event: 65
- Pull request review comment event: 47
- Pull request event: 24
- Fork event: 1
- Create event: 10
Committers
Last synced: about 2 years ago
Top Committers
| Name | Commits | |
|---|---|---|
| Michael F. Herbst | i****o@m****m | 558 |
| Maximilian Scheurer | m****r@m****m | 74 |
| Maximilian Scheurer | m****r@i****e | 32 |
| apapapostolou | 8****u | 3 |
| Susi Lehtola | s****a@a****i | 1 |
| Drrehn | 3****n | 1 |
| jonasleitner | 8****r | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 50
- Total pull requests: 88
- Average time to close issues: 10 months
- Average time to close pull requests: 3 months
- Total issue authors: 17
- Total pull request authors: 14
- Average comments per issue: 2.82
- Average comments per pull request: 5.08
- Merged pull requests: 70
- Bot issues: 0
- Bot pull requests: 1
Past Year
- Issues: 2
- Pull requests: 21
- Average time to close issues: 14 days
- Average time to close pull requests: 20 days
- Issue authors: 2
- Pull request authors: 6
- Average comments per issue: 1.5
- Average comments per pull request: 0.81
- Merged pull requests: 17
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- maxscheurer (18)
- mfherbst (12)
- Edumars (4)
- obackhouse (2)
- Drvanon (2)
- EvGeGr (2)
- frieschneider (2)
- mmuelle6 (1)
- t-fransson (1)
- golnik (1)
- proexcuse (1)
- Emilioerc (1)
- Sharlekin (1)
- ggdhzdx (1)
- dpadula85 (1)
Pull Request Authors
- maxscheurer (35)
- mfherbst (23)
- apapapostolou (12)
- jonasleitner (8)
- BauerMarco (4)
- frieschneider (4)
- AdrianLDempwolff (2)
- loriab (2)
- lgtm-com[bot] (1)
- RMaier1 (1)
- Drvanon (1)
- susilehtola (1)
- TianLin-228 (1)
- Drrehn (1)
- fedy9 (1)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 2
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Total downloads:
- pypi 155 last-month
- Total docker downloads: 8
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Total dependent packages: 0
(may contain duplicates) -
Total dependent repositories: 6
(may contain duplicates) - Total versions: 30
- Total maintainers: 1
pypi.org: adcc
adcc: Seamlessly connect your host program to ADC
- Homepage: https://adc-connect.org
- Documentation: https://adcc.readthedocs.io/
- License: GPL v3
-
Latest release: 0.16.1
published 8 months ago
Rankings
Maintainers (1)
conda-forge.org: adcc
adcc (**ADC-connect**) is a python-based framework for performing the calculation of molecular spectra and electronically excited states based upon the algebraic-diagrammatic construction (ADC) approach. Arbitrary host programs may be used to supply a self-consistent field (SCF) reference to start off the ADC calculation. Currently adcc comes with ready-to-use interfaces to four programs, namely pyscf, psi4, VeloxChem or molsturm. Adding other SCF codes or starting a calculation from statically computed data can be easily achieved.
- Homepage: https://adc-connect.org
- License: GPL-3.0-or-later
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Latest release: 0.15.14
published almost 4 years ago
Rankings
Dependencies
- adcc
- psi4
- python 3.7.*
- h5py *
- numpy *
- opt_einsum *
- scipy *
- tqdm *
- actions/cache v1 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- actions/upload-artifact v2 composite
- conda-incubator/setup-miniconda v2 composite
- actions/checkout v2 composite
- actions/setup-python v1 composite
- pypa/gh-action-pypi-publish master composite