- Beijing
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06:04
(UTC +08:00) - https://orcid.org/0000-0001-6242-0439
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deepmd-kit Public
Forked from deepmodeling/deepmd-kitA deep learning package for many-body potential energy representation and molecular dynamics
Python GNU Lesser General Public License v3.0 UpdatedFeb 12, 2025 -
Uni-Dock Public
Forked from dptech-corp/Uni-DockUni-Dock: a GPU-accelerated molecular docking program
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pytorch_geometric Public
Forked from pyg-team/pytorch_geometricGraph Neural Network Library for PyTorch
Python MIT License UpdatedJan 20, 2025 -
orb-models Public
Forked from orbital-materials/orb-modelsORB forcefield models from Orbital Materials
Python Apache License 2.0 UpdatedJan 16, 2025 -
mattersim Public
Forked from microsoft/mattersimMatterSim: A deep learning atomistic model across elements, temperatures and pressures.
Python MIT License UpdatedJan 15, 2025 -
AIS-Bench Public
The benchmark suite of AI for Science applications
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homebrew-cask Public
Forked from Homebrew/homebrew-cask🍻 A CLI workflow for the administration of macOS applications distributed as binaries
Ruby BSD 2-Clause "Simplified" License UpdatedDec 6, 2024 -
abacus-develop Public
Forked from deepmodeling/abacus-developAn electronic structure package based on either plane wave basis or numerical atomic orbitals.
C++ GNU Lesser General Public License v3.0 UpdatedNov 19, 2024 -
versatile_notebook Public
Make C++, CUDA, and MPI works in Jupyter Notebook
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unidock-feedstock Public
Forked from conda-forge/unidock-feedstockA conda-smithy repository for unidock.
BSD 3-Clause "New" or "Revised" License UpdatedJun 27, 2024 -
deepmd-kit-feedstock Public
Forked from conda-forge/deepmd-kit-feedstockA conda-smithy repository for deepmd-kit.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJun 5, 2024 -
.trunk Public
Used by Trunk. Learn more at https://docs.trunk.io/check/github-integration
UpdatedMay 24, 2024 -
deepflame-kit Public
A deep learning package for reacting flow
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pbdl-book Public
Forked from tum-pbs/pbdl-bookWelcome to the Physics-based Deep Learning Book (v0.2)
Jupyter Notebook UpdatedApr 29, 2024 -
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tbplas Public
Forked from deepmodeling/tbplasRepository of TBPLaS (tight-binding package for large-scale simulation)
Other UpdatedApr 8, 2024 -
pytorch Public
Forked from pytorch/pytorchTensors and Dynamic neural networks in Python with strong GPU acceleration
Python Other UpdatedApr 4, 2024 -
deepflame-dev Public
Forked from deepmodeling/deepflame-devA machine learning-empowered computational fluid dynamics package for reacting flow at all speeds.
C++ GNU General Public License v3.0 UpdatedMar 30, 2024 -
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 12, 2024 -
abacus-feedstock Public
Forked from conda-forge/abacus-feedstockA conda-smithy repository for abacus.
BSD 3-Clause "New" or "Revised" License UpdatedJan 5, 2024 -
DMFF Public
Forked from deepmodeling/DMFFDMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
Python GNU Lesser General Public License v3.0 UpdatedDec 12, 2023 -
Cloud-Bind Public
Forked from pablo-arantes/Cloud-BindCloud-based Drug Binding Structure Prediction
Jupyter Notebook MIT License UpdatedJul 19, 2023 -
mirror-web Public
Forked from tuna/mirror-webSource code of the web interface of https://mirrors.tuna.tsinghua.edu.cn/
HTML GNU General Public License v2.0 UpdatedJun 29, 2023 -
MEGADOCK Public
Forked from akiyamalab/MEGADOCKAn ultra-high-performance protein-protein docking for heterogeneous supercomputers
C++ Other UpdatedApr 11, 2023 -
tunasync-scripts Public
Forked from tuna/tunasync-scriptsCustom scripts for mirror jobs
Python UpdatedNov 15, 2022 -
hosts Public
Forked from ineo6/hostsGitHub最新hosts。解决GitHub图片无法显示,加速GitHub网页浏览。
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clang-tidy-pr-comments Public
Forked from platisd/clang-tidy-pr-commentsTurn clang-tidy warnings and fixes to comments in your pull request
Python MIT License UpdatedSep 7, 2022 -
taichi Public
Forked from taichi-dev/taichiProductive & portable high-performance programming in Python.
C++ Apache License 2.0 UpdatedApr 19, 2022 -
mpi4jax Public
Forked from mpi4jax/mpi4jaxZero-copy MPI communication of JAX arrays, for turbo-charged HPC applications in Python ⚡
Python MIT License UpdatedDec 9, 2021 -
libnpy Public
Forked from llohse/libnpyC++ library for reading and writing of numpy's .npy files
C++ MIT License UpdatedNov 5, 2021