pssmgen
Generates consistent PSSM and/or PDB files for protein-protein complexes
geofiles
Evaluation of file formats in the context of geo-referenced 3D geometries.
Spectra
Spectra.jl aims at helping treatment of spectral (Raman, Infrared, XAS, NMR) data under the Julia language
astrocalc
An astronomer's calculator used to perform common calculations, conversions and measurements.
SIAMFANLEquations
This is a Julia package of nonlinear solvers. These codes are used in my book, Solving Nonlinear Equations with Iterative Methods: Solvers and Examples in Julia.
torchxrayvision
TorchXRayVision: A library of chest X-ray datasets and models. Classifiers, segmentation, and autoencoders.
diffractsim
✨🔬 A flexible diffraction simulator for exploring and visualizing physical optics.
biobb-model
Biobb_model is the Biobb module collection to check and model 3d structures, create mutations or reconstruct missing atoms.
dfa_identify
Python library for identifying/learning DFAs from labeled examples by reduction to SAT.
dcm2bids
Reorganising NIfTI files from dcm2niix into the Brain Imaging Data Structure
openbenches.org
OpenBenches.org - an open data repository for memorial benches
viralrecon
Assembly and intrahost/low-frequency variant calling for viral samples
UnfoldMakie
Plotting and visualization tools for EEG data, with additional Unfold.jl regression ERP methods. Based on the visualization libraries Makie.jl and AlgebraOfGraphics.jl
lmfitxps
Models for fitting XPS-data with lmfit. Extends the Built-In Models of lmfit with a focus on XPS. Implements a Convolution of Gaussian/Doniach-Sunjic for signal fitting and various models for fitting the background in XPS, such as Tougaard, Shirley and Slope-background.
Singularity Registry
Singularity Registry: Open Source Registry for Singularity Images - Published in JOSS (2017)
mmaction2
OpenMMLab's Next Generation Video Understanding Toolbox and Benchmark
kani
kani (カニ) is a highly hackable microframework for tool-calling language models. (NLP-OSS @ EMNLP 2023)
sb3-contrib
Contrib package for Stable-Baselines3 - Experimental reinforcement learning (RL) code
GRChombo
GRChombo: An adaptable numerical relativity code for fundamental physics - Published in JOSS (2021)
biobb-chemistry
Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations.
torchrl
A modular, primitive-first, python-first PyTorch library for Reinforcement Learning.
hydragnn
Distributed PyTorch implementation of multi-headed graph convolutional neural networks
gstools
GSTools - A geostatistical toolbox: random fields, variogram estimation, covariance models, kriging and much more
flamegpu2
FLAME GPU 2 is a GPU accelerated agent based modelling framework for CUDA C++ and Python
thermopot
Python package for calculating thermodynamic potentials from first-principles calculations
pydata-wrangler
Wrangle messy numerical, image, and text data into consistent well-organized formats
voodoonet
Machine learning application for detecting liquid droplets in mixed-phase clouds using Doppler cloud radar spectra
hls-foundation-os
This repository contains examples of fine-tuning Harmonized Landsat and Sentinel-2 (HLS) Prithvi foundation model.
avogadro
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
python-intermediate-development
"Intermediate Research Software Development Skills (Python)" Lesson Material
pysecs
An open source library for calculating Spherical Elementary Current Systems (SECS)
biobb-structure-utils
Biobb_structure_utils is the Biobb module collection to modify or extract information from a PDB structure file, such as pulling out a particular model or chain, removing water molecules or ligands, or renumbering or sorting atoms or residues.
tiatoolbox
Computational Pathology Toolbox developed by TIA Centre, University of Warwick.
clarabel
Clarabel.rs: Interior-point solver for convex conic optimisation problems in Rust.
ammico
AI-based Media and Misinformation Content Analysis Tool: Analyze text and images
biocommons.seqrepo
non-redundant, compressed, journalled, file-based storage for biological sequences
biobb-io
Biobb_io is the Biobb module collection to fetch data to be consumed by the rest of the Biobb building blocks.
ofiber
A python module for mode calculations in cylindrical and planar fibers.
itk-wasm
High performance spatial analysis in a web browser and across programming languages and hardware architectures
iasi
This repository provides a collection of codes for the analysis of remote sensing observations of EUMETSAT's Infrared Atmospheric Sounding Interferometer (IASI).
gps
This repository provides a collection of codes for the analysis of GPS/RO observations.
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
py3-semver
Python package to work with Semantic Versioning (https://semver.org/)
smart-transformers
Smart Transformers are a versatile machine learning tool that can be integrated with Pytorch, TensorFlow, and JAX. Smart transformers provide accurate computations required for cryptographic algorithms. These transformers is that they are independent modules, making it efficient to experiment with various research projects related to cryptanalysis
jointly
Jointly: A Python package for synchronizing sensors with accelerometer data
lamem
LaMEM (Lithosphere and Mantle Evolution Model) - a 3D parallel code to simulate geodynamic and geomechanical processes
simplification
Very fast Python line simplification using either the RDP or Visvalingam-Whyatt algorithm implemented in Rust
smac
SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization
ionmob
An open-source prediction framework for peptide ion collision cross section (CCS) values with python.
Sundials
Julia interface to Sundials, including a nonlinear solver (KINSOL), ODE's (CVODE and ARKODE), and DAE's (IDA) in a SciML scientific machine learning enabled manner
fooof
Parameterizing neural power spectra into periodic & aperiodic components.
matsciml
Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lightning, the Deep Graph Library, and PyTorch Geometric.
EpiEstim
A tool to estimate time varying instantaneous reproduction number during epidemics