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SIMM
- China
- http://www.chenzhaoqiang.com/
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molstat Public
This Python command calculates various molecular descriptors for a given set of molecules from an SDF file and plots the molecular weight distribution.
Python MIT License UpdatedSep 30, 2024 -
DeepFrag2Mol Public
Converting the molecular fragments generated by DeepFrag into complete molecules
Python UpdatedMay 7, 2024 -
SECSE Public
Forked from KeenThera/SECSESystemic Evolutionary Chemical Space Exploration for Drug Discovery
Python Apache License 2.0 UpdatedDec 16, 2021 -
sample_ternary_dihedral Public
Forked from lezephyr1988/sample_ternary_dihedralSampling dihedral for non-crash E2/POI-contacting conformation in E3 ternary complex
Python UpdatedNov 2, 2021 -
onedrive Public
Forked from abraunegg/onedrive#1 Free OneDrive Client for Linux
D GNU General Public License v3.0 UpdatedOct 6, 2021 -
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deepchem Public
Forked from deepchem/deepchemDemocratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Python MIT License UpdatedMay 29, 2021 -
reactivity_predictions_substitution Public
Forked from yanfeiguan/reactivity_predictions_substitutionPlatforms to predict reactivity for substitution reactions.
Python UpdatedApr 25, 2021 -
SSTMap Public
Forked from KurtzmanLab/SSTMapSolvation Structure and Thermodynamic Mapping
Python MIT License UpdatedNov 10, 2020 -
Generate-novel-molecules-with-LSTM Public
Forked from LamUong/Generate-novel-molecules-with-LSTMNovel molecules generation with LSTM
Python UpdatedSep 2, 2020 -
rdkit_summary Public
Forked from dreadlesss/rdkit_summaryrdkit总结与实践
Jupyter Notebook UpdatedJul 12, 2020 -
dgl-lifesci Public
Forked from awslabs/dgl-lifesciGraph neural networks for chemistry and biology
Python Apache License 2.0 UpdatedJul 1, 2020 -
RDKitBook_zhCN Public
RDKit中文教程
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rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
C BSD 3-Clause "New" or "Revised" License UpdatedJun 21, 2020 -
rxnmapper Public
Forked from rxn4chemistry/rxnmapperRXNMapper: Unsupervised attention-guided atom-mapping
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VFTools Public
Forked from VirtualFlow/VFToolsShell GNU General Public License v3.0 UpdatedMay 1, 2020 -
VFVS Public
Forked from VirtualFlow/VFVSVirtualFlow for Virtual Screening
Shell GNU General Public License v3.0 UpdatedApr 23, 2020 -
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hexo-theme-indigo Public
Forked from yscoder/hexo-theme-indigo一个Material Design风格的Hexo主题。 https://imys.net/ 备用:
CSS The Unlicense UpdatedMar 18, 2020 -
django-registration Public
Forked from ubernostrum/django-registrationAn extensible user-registration app for Django.
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 16, 2020 -
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jamdocs Public
Forked from jam-py/jamdocsJamDocs is a web interface for Sphinx documentation generator built with Jam.py
JavaScript BSD 3-Clause "New" or "Revised" License UpdatedFeb 6, 2020 -
generative-models-for-molecules Public
Forked from renzph/generative-models-for-moleculesOverview of published generative models that produce molecules
UpdatedJan 16, 2020 -
OpenNMT-py Public
Forked from Zenglinxiao/OpenNMT-pyOpen Source Neural Machine Translation in PyTorch
Python MIT License UpdatedNov 8, 2019 -
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academicpages.github.io Public
Forked from academicpages/academicpages.github.ioGithub Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
JavaScript MIT License UpdatedJun 17, 2019 -
obabelpdb2mol2 Public
pdb2mol2APP借助openbabel把pdb文件转换成mol2文件的网络服务。
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alipay Public
Forked from fzlee/alipayPython Alipay SDK with SHA1/SHA256 support
Python Other UpdatedApr 23, 2019