cocteautwins's repositories
awesome-cryoem
A collaborative list of awesome CryoEM (Cryo Electron Microscopy) resources.
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
challenges_2021
Discover the ECMWF Summer of Weather Code 2021 challenges!
classical_gbs
classical sampling from a Gaussian Boson sampling distribution using techniques of https://arxiv.org/abs/2010.15595
cotengra
Hyper optimized contraction trees for large tensor networks - compatible with opt_einsum and quimb
DeepOBS
DeepOBS: A Deep Learning Optimizer Benchmark Suite
DFTK.jl
Density-functional toolkit
dimenet
DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)
hpl-ai
An HPL-AI implementation for Fugaku
hypre
Parallel solvers for sparse linear systems featuring multigrid methods.
logging
MLPerf™ logging library
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
MuST
Multiple Scattering Theory code for first principles calculations
NGPlus
NG+: A new second-order optimizer for deep learning
ocp
https://opencatalystproject.org/
PINNpapers
Must-read Papers on Physics-Informed Neural Networks.
policies
General policies for MLPerf™ including submission rules, coding standards, etc.
presto
Open source pulsar search and analysis toolkit
PyNN
A Python package for simulator-independent specification of neuronal network models.
pytorch-quantum
A PyTorch-centric hybrid classical-quantum machine learning framework
QubitRBM
A Quantum circuit simulator based on Restricted Boltzmann Machines.
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
sciml-bench
SciML Benchmarking Suite for AI for Science
SupermarQ
A Scalable Quantum Benchmark Suite
tools-and-data
A collection of tools and databases for atomistic machine learning
www.mlcompendium.com
The Machine Learning & Deep Learning Compendium is an open knowledge-sharing project compiled using Gitbook.