ahlawat-paramvir

ahlawat-paramvir's Stars

• matlantis-pfcc/matlantis-contrib

  Language:Jupyter Notebook3017

• general-molecular-simulations/so3lr

  SO3krates and Universal Pairwise Force Field for Molecular Simulation

  Language:Python44

• thorben-frank/mlff

  Build neural networks for machine learning force fields with JAX

  Language:Python8416

• ICAMS/grace-tensorpotential

  GRACE models and gracemaker (as implemented in TensorPotential package)

  Language:Python7

• apple/ml-sigmoid-attention

  Language:Python21910

• orbital-materials/orb-models

  ORB forcefield models from Orbital Materials

  Language:Python16919

• MDIL-SNU/SevenNet

  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.

  Language:Python11513

• tdep-developers/tdep

  The Temperature Dependent Effective Potentials (TDEP) code

  Language:Fortran5822

• Luthaf/vesin

  Compute neighbor lists for atomistic systems

  Language:C++251

• nickjbrowning/cuda_mace

  CUDA implementations of MACE models

  Language:Python101

• dftworks/dftworks

  Language:Rust484

• brucefan1983/GPUMD

  Graphics Processing Units Molecular Dynamics

  Language:Cuda462116

• mir-group/nequip

  NequIP is a code for building E(3)-equivariant interatomic potentials

  Language:Python615137

• ilyes319/mfn

  Language:Python11

• lucidrains/alphafold3-pytorch

  Implementation of Alphafold 3 in Pytorch

  Language:Python1.1k128

• HazyResearch/ThunderKittens

  Tile primitives for speedy kernels

  Language:Cuda1.5k60

• google-deepmind/materials_discovery

  Language:Jupyter Notebook881138

• chiang-yuan/llamp

  A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai

  Language:Jupyter Notebook617

• pyscf/gpu4pyscf

  A plugin to use Nvidia GPU in PySCF package

  Language:Cuda13120

• ACEsuit/mace-mp

  MACE-MP models

  Language:Shell407

• bytedance/bamboo

  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.

  Language:Python304

• mir-group/pair_allegro

  LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support

  Language:C++348

• pfnet-research/charge_transfer_nnp

  Graph neural network potential with charge transfer

  Language:Python318

• masaochi/TC

  TC++ transcorrelated method for solid-state calculation

  Language:C++82

• TinkerTools/tinker-hp

  Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs

  Language:C8024

• anharmonic/anharmonic.github.io

  D3Q + thermal2

  Language:TeX21

• lucidrains/imagen-pytorch

  Implementation of Imagen, Google's Text-to-Image Neural Network, in Pytorch

  Language:Python8k763