Chemoinformatics tool for ligand-based virtual screening
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Updated
Jan 11, 2023 - OCaml
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partial-charges
Here are 3 public repositories matching this topic...
An unofficial redistribution of the Multipurpose Atom-Typer for CHARMM (MATCH) program
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Updated
Mar 14, 2022 - Rich Text Format
Obtaining molecular partial charges using direct minimization
opencl
minimization
quantum-chemistry
gpu-computing
quantum-chemistry-programs
partial-charges
l1-norm
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Updated
Dec 31, 2020 - C
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