onepot

Here are 2 public repositories matching this topic...

anandsahuofficial / tbxt-hit-id

Multi-signal computational pipeline for TBXT G177D (Brachyury), chordoma's master regulator. TBXT Hackathon 2026.

openmm computational-chemistry drug-discovery rdkit qsar virtual-screening mmgbsa rowan autodock-vina gnina chordoma boltz-2 onepot tbxt-hackathon-2026 tbxt hit-identification muni-bio pillar-vc

Updated May 11, 2026
Python

janweinreich / ebalon

Star

Team ebalon's tool from Ebolathon: Compute to Cure (2026): match seed SMILES against the onepot CORE catalog with exact lookup, Tanimoto analogs, and RDKit enrichment.

cheminformatics computational-chemistry drug-discovery rdkit ebolavirus onepot

Updated Aug 9, 2026
Python

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