Bio Mega Server

Dashboard Workspace Tools Jobs

GPU backend: Boltz-2 submits through the Slurm/Singularity runner adapter. Other tools stay visible until their adapters are configured.

Back

Small Molecule Property Prediction

Ligand Scoring

secondsPaperCodeProduction Ready

Score ligand smiles or sdfs

Details Paper Code

Job Name

Log in to submit jobs to the Slurm backend.

EXAMPLES

SMILES *SDF file

ADME Molecular descriptors Toxicity Synthetic accessibility

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: ready
Storage: <5
Strategy: installed/configured on Ubuntu backend; Slurm CPU adapter configured
Next: Ready for user-facing frontend submission; expand benchmark set before public production release.

Upgraded from proxy counts to RDKit descriptors; Slurm smoke job 213 completed in 0.074 s and produced molecular descriptor results.csv.

Boltz ADME

Predict small-molecule ADME (lipophilicity, permeability, solubility)

Small Molecule Property Prediction

QupKake

Predict pKa for organic molecules

Small Molecule Property Prediction

ADMET

Quickly predict drug properties

Small Molecule Property Prediction

LogP

Predict molecular lipophilicity (LogP)

Small Molecule Property Prediction

Charge & Dipole

Atomic partial charges and molecular dipole moment

Small Molecule Property Prediction