santi921

santi921's Stars

• facebook/docusaurus

  Easy to maintain open source documentation websites.

  Language:TypeScript58.5k4163.2k8.8k

• KindXiaoming/pykan

  Kolmogorov Arnold Networks

  Language:Jupyter Notebook15.4k1114331.4k

• facebookresearch/nevergrad

  A Python toolbox for performing gradient-free optimization

  Language:Python4k58267358

• recp/cglm

  📽 Highly Optimized 2D / 3D Graphics Math (glm) for C

  Language:C2.4k52189243

• sourcery-ai/sourcery

  Instant AI code reviews

  1.6k1842077

• holoviz/hvplot

  A high-level plotting API for pandas, dask, xarray, and networkx built on HoloViews

  Language:Python1.2k25835110

• Ligo-Biosciences/AlphaFold3

  Open source implementation of AlphaFold3

  Language:Python963241384

• ccsb-scripps/AutoDock-Vina

  AutoDock Vina

  Language:C++67126321225

• WillHua127/GraphKAN-Graph-Kolmogorov-Arnold-Networks

  Language:Python3346531

• orbital-materials/orb-models

  ORB forcefield models from Orbital Materials

  Language:Python29071739

• pyt-team/TopoModelX

  Topological Deep Learning

  Language:Jupyter Notebook253126689

• brianhie/efficient-evolution

  Efficient evolution from protein language models

  Language:Python19072346

• isayevlab/AIMNet2

  Language:Python12283727

• aiqm/aimnet

  Atoms In Molecules Neural Network Potential

  Language:Python10210427

• ebekkers/ponita

  Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.

  Language:Python80206

• OUnke/SpookyNet

  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"

  Language:Python705415

• dariokonopatzki/Deep-Learning-Foundations-and-Concepts-Solutions

  My solutions to DLFC - Deep Learning: Foundations and Concepts

  642412

• AlexDuvalinho/GraphSVX

  Explanation method for Graph Neural Networks (GNNs)

  Language:Python632717

• BingqingCheng/cace

  Language:Python614313

• atomind-ai/mlip-arena

  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics

  Language:Python560122

• AIforGreatGood/charge3net

  Higher-order equivariant neural networks for charge density prediction in materials

  Language:Python465712

• mqcomplab/MDANCE

  MDANCE is a flexible n-ary clustering package for all applications.

  Language:Python43404

• isayevlab/aimnetnse

  AIMNet-NSE model

  Language:Python425210

• AndMastro/EdgeSHAPer

  EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks

  Language:Jupyter Notebook25101

• zhangylch/FIREANN

  add the influence of external field to REANN model

  Language:Python23274

• zubatyuk/aimnet2

  AIMNet2: Fast, accurate and transferable neural network interatomic potential

  Language:Python18663

• Genentech/voxmol

  Language:Python1534

• Open-Catalyst-Project/om-data

  Language:Jupyter Notebook14502

• ASK-Berkeley/StABlE-Training

  A repo to finetune NNIPs by training on observables

  13311

• gomesgroup/simg

  Advancing Molecular Machine (Learned) Representations with Stereoelectronics-Infused Molecular Graphs

  Language:Python6001