Beast code in Giters

Ilyes Batatia's starred repositories

Fooocus

Focus on prompting and generating

Language:PythonGPL-3.040494 313 1503

OpenDevin

🐚 OpenDevin: Code Less, Make More

Language:PythonMIT30189 281 1252

GPU-Puzzles

Solve puzzles. Learn CUDA.

Language:Jupyter NotebookMIT9331 95 32

insanely-fast-whisper

Language:Jupyter NotebookApache-2.07515 65 189

pyscf

Python module for quantum chemistry

Language:PythonApache-2.01211 79 1453

lineax

Linear solvers in JAX and Equinox. https://docs.kidger.site/lineax

Language:PythonApache-2.0345 9 40

jax-triton

jax-triton contains integrations between JAX and OpenAI Triton

Language:PythonApache-2.0333 20 55

SevenNet

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

Language:PythonGPL-3.0112 4 17

matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.

Language:PythonMIT92 8 38

AIMNet2

Language:PythonMIT81 9 30

torch-dftd

pytorch implementation of dftd2 & dftd3

Language:PythonMIT61 14 8

matcalc

A python library for calculating materials properties from the PES

Language:PythonBSD-3-Clause58 7 5

qujax

Simulating quantum circuits with JAX

Language:PythonApache-2.056 2 16

Gaunt-Tensor-Product

[ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products"

Apache-2.054 13 2

Awesome-Triton-Kernels

Collection of kernels written in Triton language

MIT53 30

ACEpotentials.jl

Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

Language:JuliaMIT46 7 139

mace-mp

MACE-MP models

Language:ShellMIT40 11 9

mace-tutorials

Collection of tutorials to use the MACE machine learning force field.

Language:Jupyter NotebookMIT38 3 1

vesin

Compute neighbor lists for atomistic systems

Language:C++BSD-3-Clause25 3 8

mace-off

MACE-OFF23 models

Language:ShellNOASSERTION21 6 3

mess

MESS: Modern Electronic Structure Simulations

Language:PythonMIT17 40

simgen

Zero Shot Molecular Generation via Similarity Kernels

Language:PythonMIT12 2 4

EquivariantModels.jl

Tools for geometric learning

Language:JuliaMIT11 5 16

mfn

Language:PythonNOASSERTION11 20

FFAST

Language:Python10 2 2

cuda_mace

CUDA implementations of MACE models

Language:PythonMIT10 30

mace-mp-umap

UMAP analysis using a pretrained MACE model

Language:PythonMIT8 1 3

mops

Mathematical operations with GPU acceleration

Language:C++BSD-3-Clause7 16 12

Guaranteed-Non-Local-Molecular-Dataset

A dataset for benchmarking non-local capabilities of geometric machine learning models.

6 10

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Language:PythonNOASSERTION200