Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
- quantum-chemistry
- c-plus-plus
- python
- computational-chemistry
Repository Index
77,353 visible repositories in the index
169–192 of 431 · Most stars
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
- adaptive-learning
- machine-learning
- python
- live-plots
TorchXRayVision: A library of chest X-ray datasets and models. Classifiers, segmentation, and autoencoders.
- medical-imaging
- medical-ai
- deep-learning
- machine-learning
WeeWX code repository
- weather
- python
- weewx
- raspberry-pi
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
Fast NumPy array functions written in C
- c
- python
- numpy
- fast
🦖 ClawBio - The first bioinformatics-native AI agent skill library. Local-first. Reproducible. Open. Free.
- ai-agents
- bioinformatics
- equity
- genomics
Official Repository for the Uni-Mol Series Methods
- molecular-modeling
- pre-trained-model
- pretraining
- deep-learning
An open-source application for biological image analysis
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
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
:spider_web: Gmsh for Python
- python
- pypi
- mesh-generation
- engineering
Foundation Models for Genomics & Transcriptomics
Wallet UI simulation tool for BTC, ETH, SOL, XRP, and 200+ assets. Customize displayed balances in a controlled demo environment with persistent visual settings and screenshot-ready previews. Designed for testing, demonstrations, and UI prototyping without altering actual blockchain balances or transactions.
- bitcoin-transaction-tool
- browser-crypto-wallet
- crypto-broadcast-api
- electrum-payment
Scientific-grade astronomy routines for Python
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
OpenMDAO repository.
- nasa
- open-source
- framework
- openmdao
3D medical imaging reconstruction software
- dicom
- dicom-viewer
- magnetic-resonance-imaging
- medical-image-processing
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics