GenMol
Generative AI for small molecule design and optimization.
A powerful generative model for designing small molecules using various strategies including de novo generation, fragment linking, and scaffold decoration.
Estimated resource cost: 0.000527
Categories: Ligand/Drug Design & Screening
Tags: Small Molecules Virtual Screening
Key Capabilities
- De Novo generation of molecules.
- Fragment linking to connect molecular substructures.
- Scaffold decoration and completion.
- Oracle-driven optimization using QED, SA, and LogP scores.
Runtime Statistics
| Metric | Value |
|---|---|
| runtime_mean | 154 |
| runtime_median | 104 |
| runtime_std | 235 |
| runtime_90th_percentile | 114 |
| runtime_max | 1494 |
Similar Tools
- PocketFlow
- QEPPI
- SPRINT
- AutoDock Vina (smina)
Ready to submit your job?
Review your configuration, then confirm the estimated credit cost before you run the job. Note that credit estimates are not guaranteed and runtime can vary depending on inputs and settings.
Estimated Credits: 0.000527
Invite-only, limited-time access. Please contact ztang@getantibody.com.
Invite-only, limited-time access. Please contact ztang@getantibody.com.