Tools · Computational Biology
DrugFlow
Generate candidate ligands from a protein target and reference ligand using flow matching
Hardware and price
Price per run
What a typical run reserves from your wallet: the catalog's expected runtime on each piece of hardware × your plan's per-second rate. Larger inputs reserve more, and you're charged only for the seconds the job actually runs.
| Hardware | Typical runtime | Basic | Starter | Pro | Enterprise |
|---|---|---|---|---|---|
| Nvidia T4Default | 15 min | $0.51 | $0.37 | $0.30 | $0.23 |
| Nvidia L4 | 15 min | $0.70 | $0.50 | $0.40 | $0.30 |
| Nvidia A10 | 15 min | $0.96 | $0.68 | $0.55 | $0.41 |
| Nvidia L40S | 15 min | $1.71 | $1.22 | $0.97 | $0.73 |
| Nvidia A100, 40 GB | 15 min | $1.84 | $1.31 | $1.05 | $0.79 |
| Nvidia A100, 80 GB | 15 min | $2.19 | $1.57 | $1.25 | $0.94 |
| Nvidia H100 | 15 min | $3.46 | $2.47 | $1.97 | $1.49 |
| Nvidia H200 | 15 min | $3.97 | $2.83 | $2.27 | $1.70 |
| Nvidia B200 | 15 min | $5.47 | $3.91 | $3.12 | $2.35 |
In workflows
Chain it with other steps.
Each input and output has a data kind, so the builder only connects steps that fit.
Inputs
- Protein structurePDB
- MoleculesSDF
Outputs
- ArchiveZIP
- MoleculesSDF
Ready-made workflows that use it
- Generate and dock new ligands for a pocketDrugFlow generate → dockLibrary design
References
The method behind it.
- Arne Schneuing, Ilia Igashov, Adrian W. Dobbelstein et al. (2025). Multi-domain Distribution Learning for De Novo Drug Design. arXiv. doi:10.48550/arxiv.2508.17815 (opens in a new tab)
Run via API
Submit it from your own code.
Use an API key from your account. The estimate uses your plan's rates; submitting reserves that amount from your wallet.
# Estimate the reservation for your plan (payload fields: see the API reference)
curl -X POST https://api.cognichem.com/api/v1/jobs/estimate \
-H "X-Api-Key: $COGNICHEM_API_KEY" \
-H "Content-Type: application/json" \
-d '{"job_type": "drugflow", "resource": "t4", "payload": {}}'
# Submit (retrying with the same Idempotency-Key never submits twice)
curl -X POST https://api.cognichem.com/api/v1/jobs/submit \
-H "X-Api-Key: $COGNICHEM_API_KEY" \
-H "Idempotency-Key: $(uuidgen)" \
-H "Content-Type: application/json" \
-d '{"job_name": "drugflow-1", "job_type": "drugflow", "resource": "t4", "payload": { ... }}'Computational Biology
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