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Starred repositories
[ICCV2023 Oral] RoadNetworkTRansformer & [AAAI 2024] LaneGraph2Seq
Agent Learning Framework https://alf.readthedocs.io
Monitoring recent cross-research on LLM & RL on arXiv for control. If there are good papers, PRs are welcome.
This repository collects research papers of large Vision Language Models in Autonomous driving and Intelligent Transportation System. The repository will be continuously updated to track the lates…
[IEEE T-PAMI 2024] All you need for End-to-end Autonomous Driving
Best practice document for alchemical free energy calculations going to livecoms journal
A collection of Nerual Network Models for chemistry
The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
Making Protein folding accessible to all!
Graph Neural Network Library for PyTorch
Message Passing Neural Networks for Molecule Property Prediction
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A curated list of papers on deep graph learning for drug discovery (DGL4DD).
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
Implementation of Alphafold 3 from Google Deepmind in Pytorch
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
This repository contains implementations and illustrative code to accompany DeepMind publications
Open source code for AlphaFold 2.
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
Plausibility checks for generated molecule poses.
XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
Differentiable, Hardware Accelerated, Molecular Dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
C++ Programming Tutorial in Chemistry