GitHub - Ash100/DaS: This repo contains materials for Docking and Virtual Screening of compounds. It aims to teach and guide researchers and students to achieve their tasks.

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This repo contains materials for Docking and Virtual Screening of compounds. It aims to teach and guide researchers and students to achieve their tasks.

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Name		Name	Last commit message	Last commit date
Latest commit History 11 Commits
.gitattributes		.gitattributes
Boltz1-Structure prediction tool.ipynb		Boltz1-Structure prediction tool.ipynb
DFT_1.ipynb		DFT_1.ipynb
DFT_2.ipynb		DFT_2.ipynb
DFT_3.ipynb		DFT_3.ipynb
DFT_Calculator_and_Analaysis_4.ipynb		DFT_Calculator_and_Analaysis_4.ipynb
DaVS.ipynb		DaVS.ipynb
DaVS_Local.ipynb		DaVS_Local.ipynb
MM_GB(PB)SA_Plotting.ipynb		MM_GB(PB)SA_Plotting.ipynb
Plot_your_data_on_Plotnine.ipynb		Plot_your_data_on_Plotnine.ipynb
Similar_Compound_Search_PubChem.ipynb		Similar_Compound_Search_PubChem.ipynb

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This repo contains materials for Docking and Virtual Screening of compounds. It aims to teach and guide researchers and students to achieve their tasks.

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