admet
Atom-JEPA: Joint-Embedding Predictive Architecture for 3D Atomistic Systems
The open computational chemistry engine for drug discovery and materials science; MCP + REST + Workbench + Next.js dashboard, wrapping RDKit, GROMACS, AutoDock, OpenFold, Chai, Boltz, Gnina.
Jupyter and IPython extension for interactive Refua visualizations of ADMET profiles, 2D and 3D molecules, and fold results.
Client for Deep-PK's small-molecule ADMET/toxicity prediction API, plus a mirrored CYP450 inhibitor/substrate reference dataset.
