AI4ScienceCommunity

AI4ScienceCommunity's Stars

• zdhNarsil/Diffusion-Generative-Flow-Samplers

  PyTorch implementation for our ICLR 2024 paper "Diffusion Generative Flow Samplers: Improving learning signals through partial trajectory optimization"

  Language:Python201

• Data-reindeer/MolScaling

  Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).

  Language:Python112

• yuanqidu/LeftNet

  Language:Python465

• jax-md/jax-md

  Differentiable, Hardware Accelerated, Molecular Dynamics

  Language:Jupyter Notebook1.2k189

• lucidrains/egnn-pytorch

  Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

  Language:Python40767