>Code

Open-source software for computational biophysics and drug design developed by UIBCDF.

MolSysSuite ecosystem

MolSysSuite is the integrated ecosystem developed in UIBCDF for computational biophysics and drug design workflows, connecting interoperable libraries for end-to-end scientific pipelines.

Ecosystem website

MolSysMT

Unifying molecular systems workflows

GitHub Docs

MolSysViewer

An interactive viewer for molecular systems

GitHub Docs

MolSys-AI

The AI driving MolSysSuite

GitHub Docs

Sabueso

Discovering molecular knowledge across sources

GitHub Docs

TopoMT

Decoding molecular surfaces

GitHub Docs

PharmacophoreMT

Pharmacophore-based molecular modeling

GitHub Docs

ElasNetMT

Multitoolkit for elastic network analysis

GitHub Docs

Software engineering utilities

SMonitor

Monitoring utilities for software and CI workflows.

GitHub Docs

ArgDigest

Argument handling helpers for scientific Python tooling.

GitHub Docs

DepDigest

Dependency introspection and maintenance utilities.

GitHub Docs

PyUnitWizard

Unit-conversion helpers for scientific Python codebases.

GitHub Docs

GitHub Actions

Build and upload conda packages

Automation for Conda packaging and distribution.

GitHub Marketplace

Sphinx docs to gh-pages

Automation for documentation deployment workflows.

GitHub Marketplace