A practical FEP workspace for modern drug design teams.
BFEP brings mapping, analysis, and simulation into one environment for lead optimization — visualize perturbation networks, inspect ligand relationships, and audit edge confidence at a glance.
Run high-fidelity free energy calculations at GPU scale, with AI-assisted review and reproducible reports baked into every campaign.
Everything a lead-optimization team needs in one window.
Perturbation network planning
Design and visualize FEP networks — inspect cycles, edge confidence, and ligand relationships at a glance.
Atom-mapping review
Conserved, mutated and unmapped atoms surfaced inline. Catch problematic transformations before they consume GPU time.
AI review assistant
Plain-text mapping reviews and per-edge diagnostics generated alongside the run — auditable, not magical.
GPU-scale execution
Production-grade RBFE campaigns on your cluster or in the cloud. Convergence and cycle closure tracked throughout.
Reproducible reports
Every campaign exports a methodology-grade report with inputs, parameters, and ranked outcomes.
Pose & 3D inspection
Switch between graph, 2D mapping, and 3D pose views — context, not just numbers.
How a typical FEP cycle runs in BFEP.
- 01Import ligand series & target
- 02Plan perturbation network
- 03Review atom mappings
- 04Run GPU-scale calculations
- 05Inspect convergence & rank analogs
- 06Export reproducible report
