Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
- quantum-chemistry
- c-plus-plus
- python
- computational-chemistry
Repository Index
47,133 repositories indexed
73–96 of 347 · Most stars
TorchXRayVision: A library of chest X-ray datasets and models. Classifiers, segmentation, and autoencoders.
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
A lean C++ library for working with point cloud data
- point-cloud
- icp
- ransac
- convex-hull
⚡High Performance DICOM Medical Image Parser in Go.
- dicom
- dicom-images
- golang
- golang-library
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
ADAM is a genomics analysis platform with specialized file formats built using Apache Avro, Apache Spark, and Apache Parquet. Apache 2 licensed.
WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
Validated, scalable, community developed variant calling, RNA-seq and small RNA analysis
This rocq library aims to formalize a substantial body of mathematics using the univalent point of view.
- coq
- mathematics
- unimath
- coq-library
flybrainlabs authority nodes, complete simulation replay, archives, and service APIs.
2D/3D geometry toolkit for Clojure/Clojurescript
- geometry
- visualization
- mesh-generation
- opengl
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
linalg.h is a single header, public domain, short vector math library for C++
:christmas_tree:Visualization and annotation of phylogenetic trees
- r
- visualization
- phylogenetic-trees
- annotations
:four_leaf_clover: Evolutionary optimization library for Go (genetic algorithm, partical swarm optimization, differential evolution)
Precision Medicine Knowledge Graph (PrimeKG)
- knowledge-graph
- precision-medicine
- therapeutics
- bioinformatics
Polygonal Surface Reconstruction from Point Clouds (C++ & Python)
- surface-reconstruction
- urban-modeling
- urban-reconstruction
- primitive-extraction
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
- csharp
- algebra
- integration
- latex
Arbitrary-precision arithmetic in pure Swift
LibTomMath is a free open source portable number theoretic multiple-precision integer library written entirely in C.
- mpi
- libtommath
- c
- math
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
Pathology Foundation Model - Nature Medicine
- foundation
- foundation-model
- histopathology
- mahmoodlab