molecular topic
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molecular repositories
lammps-input-files
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LAMMPS inputs and data files
stmol
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This is the repository for the Stmol project, a Streamlit component that uses py3Dmol to render molecules.
gofal
18
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fractional api base on golang . golang math tools fractional molecular denominator 分数计算 分子 分母 运算
Samsung-AI-Challenge-for-Scientific-Discovery
50
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7
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🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
cliptoe
17
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0
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Command Line Interactive Periodic Table of Elements in multiple languages
zedux
318
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6
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:zap: A Molecular State Engine for React
numgrid
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Numerical integration grid for molecules.
UnityMol-Releases
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23
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Official github repository of public UnityMol source code releases -- more details at http://unitymol.sourceforge.net
KCL
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Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]