molecular-visualization

A browser-based 3D cartoon renderer for CIF and POSCAR crystal structures using Three.js.

This repository provides a comprehensive module on structural biology and drug discovery, covering protein structure, docking, and drug design. It runs on Google Cloud Platform using Jupyter notebooks and includes tools like PyMOL and AutoDock.

Django-based platform for Multiple Myeloma research combining drug discovery tools, PKPD simulation, digital patient twins, and clinical decision support

Web-based 3D viewer and analyzer of noncovalent interactions: σ/π-holes, tetrel, triel, hydride bonds and π-stacking

Browser-based structural biology workbench: interaction networks, mutation and free energy, with every contact annotated by the evidence supporting it. One self-contained HTML file, no installation, no data leaves your machine.

Automated chemical compound profiling, Lipinski Rule of 5 drug-likeness assessment, GHS hazard classification, and interactive 3D molecular visualization using PubChem REST APIs.

Visualize 3D molecular structures from PDB files with GPU-accelerated rendering and support for VR on multiple platforms using Rust.

Headless molecular visualization and structural biophysics skill for AI agents. Generates publication renders, AlphaFold pLDDT maps, binding pockets, alignments, and web dashboards via PyMOL and OSMesa.

AI agent skill for querying the EMBL-EBI ChEMBL bioactivity database and generating standalone interactive 2D/3D molecular dashboards with Lipinski Rule of 5 radar charts, SAR potency distributions, and chemical similarity networks.

http://www.umop.net/spectra/index.htm PrimaryOdors.org molecular docker. http://primaryodors.org/index.php