masahiro-negishi

masahiro-negishi's Stars

• facebookresearch/schedule_free

  Schedule-Free Optimization in PyTorch

  Language:Python2k69

• SakanaAI/AI-Scientist

  The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑‍🔬

  Language:Jupyter Notebook8.5k1.2k

• GFNOrg/torchgfn

  A modular, easy to extend GFlowNet library

  Language:Jupyter Notebook24334

• aronwalsh/Crystallography

  Online resource for introduction to crystallography at Imperial College London (MATE40004)

  Language:Jupyter Notebook101

• sh-divya/ActiveLearningMaterials

  Language:Jupyter Notebook41

• flaviucipcigan/matgfn

  Language:Jupyter Notebook10

• alexhernandezgarcia/gflownet

  Generative Flow Networks - GFlowNet

  Language:Python20715

• ocatias/BasicGNNProject

  Starting point for GNN research projects: implementation of baseline GNNs on standard datasets together with hyperparameter tuning and evaluation.

  Language:Python91

• materialsproject/pymatgen

  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 Project.

  Language:Python1.5k871

• rdkit/rdkit

  The official sources for the RDKit library

  Language:HTML2.7k887

• deepchem/deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python5.6k1.7k

• pwelke/grrph

  Pascals Python Graph Library

  Language:Python2

• dmlc/dgl

  Python package built to ease deep learning on graph, on top of existing DL frameworks.

  Language:Python13.6k3k

• fredthedead/causal-inference-in-statistics-solutions

  Solutions on "Causal Inference in Statistics: A Primer" using Jupyter Notebook, Python

  Language:Jupyter Notebook3110

• google-research/disentanglement_lib

  disentanglement_lib is an open-source library for research on learning disentangled representations.

  Language:Python1.4k203

• academicpages/academicpages.github.io

  Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

  Language:JavaScript12.8k44.7k