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Search results for computational chemistry docking
computational-chemistry
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4 search results found
Physics Aware Multiplex Gnn
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35
Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"
Screenlamp
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18
screenlamp is a Python toolkit for hypothesis-driven virtual screening
Dockit
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11
High-throughput molecular docking with multiple targets and ligands using Vina series engines
Jdock
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5
An extended variant of idock which was originally developed by @HongjianLi.
1-4 of 4 search results
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