Stars
The simplest, fastest repository for training/finetuning medium-sized GPTs.
A PyTorch library for implementing flow matching algorithms, featuring continuous and discrete flow matching implementations. It includes practical examples for both text and image modalities.
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
BetterBahn is an open-source project that aims to improve the train travel experience in germany. The current focus is on split-ticketing. However, further functions are planned to follow in the fu…
Official PyTorch Implementation of "SiT: Exploring Flow and Diffusion-based Generative Models with Scalable Interpolant Transformers"
Official code implementation of *Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling* (NeurIPS 2025).
Fully Local Manus AI. No APIs, No $200 monthly bills. Enjoy an autonomous agent that thinks, browses the web, and code for the sole cost of electricity. 🔔 Official updates only via twitter @Martin9…
jobflow is a library for writing computational workflows.
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
atomate2 is a library of computational materials science workflows
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TorchCFM: a Conditional Flow Matching library
Torch-native, batchable, atomistic simulations.
Croissant is a high-level format for machine learning datasets that brings together four rich layers.
JavaScript client for Deutsche Bahn public transport APIs.
Up-scale python functions for high-performance computing (HPC)
A Python package for performing Widom insertion simulations to calculate gas adsorption properties in porous materials
Hierarchical Reasoning Model Official Release
Simplifying reinforcement learning for complex game environments
[ICML2025] The official implementation of "PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models"
Python package for deep learning on molecular point clouds.
Process BeReal photos received from a GDPR-request
Code for automated fitting of machine learned interatomic potentials.