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MolGen

Generate novel, chemically valid analogs of a seed molecule with a SELFIES molecular language model

Open in the appRun via API

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.

MolGen: reservation per run, USD
HardwareTypical runtimeBasicStarterProEnterprise
Nvidia T410 min$0.34$0.25$0.20$0.15
Nvidia L410 min$0.47$0.34$0.26$0.20
Nvidia A10Default10 min$0.64$0.46$0.37$0.28
Nvidia L40S10 min$1.14$0.82$0.65$0.49
Nvidia A100, 40 GB10 min$1.22$0.88$0.70$0.53
Nvidia A100, 80 GB10 min$1.46$1.04$0.83$0.62
Nvidia H10010 min$2.30$1.64$1.31$0.99
Nvidia H20010 min$2.65$1.89$1.51$1.13
Nvidia B20010 min$3.65$2.60$2.08$1.57

In workflows

Chain it with other steps.

Each input and output has a data kind, so the builder only connects steps that fit.

Inputs

  • Molecules (list) · optionalSMILES, SDF, MOLBLOCK, INCHI

Outputs

  • ArchiveZIP
  • TableCSV
  • MoleculesSMILES

References

The method behind it.

  1. Yin Fang, Ningyu Zhang, Zhuo Chen et al. (2024). Domain-Agnostic Molecular Generation with Chemical Feedback. ICLR. doi:10.48550/arxiv.2301.11259 (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": "molgen", "resource": "a10", "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": "molgen-1", "job_type": "molgen", "resource": "a10", "payload": { ... }}'
Payload fields and examples in the docs

Cheminformatics & Structure

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