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.
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Aug 9, 2026 - Python
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onepot
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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
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May 11, 2026 - Python
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