Pinned Repositories
aiida-core
The official repository for the AiiDA code
awesome-cryoem
A collaborative list of awesome CryoEM (Cryo Electron Microscopy) resources.
awesome-deep-learning
A curated list of awesome Deep Learning tutorials, projects and communities.
awesome-materials-informatics
Curated list of known efforts in materials informatics
awesome-quantum-computing
A curated list of awesome quantum computing learning and developing resources.
Awesome-QuantumComputing
This repos records how I grow up in quantum computing.
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
challenges_2021
Discover the ECMWF Summer of Weather Code 2021 challenges!
ChASE
Chebyshev Accelerated Subspace iteration Eigensolver
Classical-Simulation-of-GBS
Classical sampling algorithm for Gaussian Boson Sampling.
cocteautwins's Repositories
cocteautwins/awesome-cryoem
A collaborative list of awesome CryoEM (Cryo Electron Microscopy) resources.
cocteautwins/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
cocteautwins/challenges_2021
Discover the ECMWF Summer of Weather Code 2021 challenges!
cocteautwins/classical_gbs
classical sampling from a Gaussian Boson sampling distribution using techniques of https://arxiv.org/abs/2010.15595
cocteautwins/cotengra
Hyper optimized contraction trees for large tensor networks - compatible with opt_einsum and quimb
cocteautwins/DeepOBS
DeepOBS: A Deep Learning Optimizer Benchmark Suite
cocteautwins/DFTK.jl
Density-functional toolkit
cocteautwins/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)
cocteautwins/dlmatreview
cocteautwins/hpl-ai
An HPL-AI implementation for Fugaku
cocteautwins/hypre
Parallel solvers for sparse linear systems featuring multigrid methods.
cocteautwins/logging
MLPerf™ logging library
cocteautwins/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
cocteautwins/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
cocteautwins/MuST
Multiple Scattering Theory code for first principles calculations
cocteautwins/NGPlus
NG+: A new second-order optimizer for deep learning
cocteautwins/ocp
https://opencatalystproject.org/
cocteautwins/PINNpapers
Must-read Papers on Physics-Informed Neural Networks.
cocteautwins/policies
General policies for MLPerf™ including submission rules, coding standards, etc.
cocteautwins/presto
Open source pulsar search and analysis toolkit
cocteautwins/PyNN
A Python package for simulator-independent specification of neuronal network models.
cocteautwins/pytorch-quantum
A PyTorch-centric hybrid classical-quantum machine learning framework
cocteautwins/QubitRBM
A Quantum circuit simulator based on Restricted Boltzmann Machines.
cocteautwins/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
cocteautwins/Science-Benchmarks-Working-Group
cocteautwins/sciml-bench
SciML Benchmarking Suite for AI for Science
cocteautwins/SummerSchool2021_MLAS
cocteautwins/SupermarQ
A Scalable Quantum Benchmark Suite
cocteautwins/tools-and-data
A collection of tools and databases for atomistic machine learning
cocteautwins/www.mlcompendium.com
The Machine Learning & Deep Learning Compendium is an open knowledge-sharing project compiled using Gitbook.