Stars
Fully open reproduction of DeepSeek-R1
An Industrial-Level Controllable and Efficient Zero-Shot Text-To-Speech System
CV/resume generator for academics and engineers, YAML to PDF
A computer algebra system written in pure Python
Official code for "F5-TTS: A Fairytaler that Fakes Fluent and Faithful Speech with Flow Matching"
"AI-Trader: Can AI Beat the Market?" Live Trading Bench: https://ai4trade.ai Tech Report Link: https://arxiv.org/abs/2512.10971
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
Matplotlib tutorial for beginner
PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.
FAIR Chemistry's library of machine learning methods for chemistry
A deep learning package for many-body potential energy representation and molecular dynamics
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
NequIP is a code for building E(3)-equivariant interatomic potentials
Scientific Inkscape: Inkscape extensions for figure resizing and editing
DSL and compiler framework for automated finite-differences and stencil computation
TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained …
Python version of the amazing Reaction Mechanism Generator (RMG).
Python package for numerical derivatives and partial differential equations in any number of dimensions.
Interaction Fingerprints for protein-ligand complexes and more
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
Parameter/topology editor and molecular simulator
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Torch-native, batchable, atomistic simulations.
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io