Profile of diogomart

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5 projects

Last released Oct 23, 2025

Python package for preparing small molecule for docking

Last released Oct 16, 2025

Enumerate states of small organic molecules: 3D coordinates, tautomers, pH-based adjustments

Last released May 22, 2025

Package for creating database from virtual screening files and performing filtering on results.

Last released Feb 26, 2025

Python interface to AutoDock Vina

Last released Jul 15, 2024

CosolvKit

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