hspark1212

hspark1212's Stars

• jax-ml/jax

  Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

  Language:Python31.3k3326k2.9k

• deep-diver/paper-reviewer

  Generate a comprehensive review from an arXiv paper, then turn it into a blog post. This project powers the website below for the HuggingFace's Daily Papers (https://huggingface.co/papers).

  Language:Python7298381

• cccntu/minLoRA

  minLoRA: a minimal PyTorch library that allows you to apply LoRA to any PyTorch model.

  Language:Jupyter Notebook44810931

• mir-group/allegro

  Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

  Language:Python371214249

• glotzerlab/hoomd-blue

  Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

  Language:C++36123943137

• microsoft/mattersim

  MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

  Language:Jupyter Notebook32291533

• mir-group/flare

  An open-source Python package for creating fast and accurate interatomic potentials.

  Language:Python3092121272

• orbital-materials/orb-models

  ORB forcefield models from Orbital Materials

  Language:Python28771738

• abTEM/abTEM

  ab initio Transmission Electron Microscopy

  Language:Python2201015567

• NVIDIA/cuEquivariance

  cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDock, MACE, Allegro and NEQUIP, based on equivariant neural networks.

  Language:Python18513158

• MorganCThomas/MolScore

  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

  Language:Python16421426

• openmm/spice-dataset

  A collection of QM data for training potential functions

  Language:Python16118709

• daskol/typst-templates

  A list of paper templates in the area of machine learning.

  Language:Typst1372108

• thorben-frank/mlff

  Build neural networks for machine learning force fields with JAX

  Language:Python10861124

• hkproj/pytorch-lora

  LORA: Low-Rank Adaptation of Large Language Models implemented using PyTorch

  Language:Jupyter Notebook942328

• basf/mlipx

  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside powerful visualization and comparison tools.

  Language:Python70746

• atomind-ai/mlip-arena

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

  Language:Python560122

• zincware/ZnDraw

  Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)

  Language:TypeScript3813434

• hspark1212/chemeleon

  A text-guided diffusion model for crystal structure generation

  Language:Python35214

• ASK-Berkeley/EScAIP

  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential

  Language:Python32543

• Garden-AI/garden

  Language:Python2473274

• hspark1212/DAC-SIM

  A molecular simulation package integrating MLFFs in MOFs for DAC

  Language:Python24204

• killiansheriff/ChemicalMotifIdentifier

  A Python package to perform a chemical motif characterization of short-range order.

  Language:Python18202

• imagdau/Tutorials

  Collection of Tutorials on Machine Learning Interatomic Potentials

  Language:Jupyter Notebook14204

• francisengelmann/points2objects

  Language:Python13321

• lrcfmd/LEAF

  Local Environment-based Atomic Features

  Language:Python11001

• mtap-research/CoRE-MOF-Tools

  Language:Python11101

• virtualatoms/AnisoNet

  This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crystals.

  Language:Jupyter Notebook10100

• sandeep-iitr/LORA_Playground

  LORA (Low-Rank Adaptation) to showcase an efficient way to fine-tune deep learning models.

  Language:Jupyter Notebook9101

• Natniif/GrouPy

  Group Equivariant Convolutional Neural Networks

  Language:Python100