API-First · Python & REST

Professional Tools for
Molecular Experts

API-first platform for consultants, data scientists, and domain experts — pay-as-you-go credits, batch processing, ML-ready exports.

MolForge for cheminformatics specialists — API-first molecular analysis tools and Python SDK
Specialist Personas

Built for Every Specialist

Whether you bill clients, build models, or file submissions — MolForge fits your workflow.

Consultants

Pay-as-you-go API. Bill compute to clients. Track usage per project.

  • Credit-based pricing
  • Per-project tracking
  • Client-ready reports

Cheminformatics

Full Python API for docking, QSAR, FEP, and graph queries. Integrate into existing pipelines.

  • REST API & Python SDK
  • Batch processing
  • SDF/PDB export

Data Scientists

Export graph data with node features and fingerprints. ML-ready datasets for custom model training.

  • Graph export & edge lists
  • Fingerprint matrices
  • Node features

Regulatory Affairs

Reproducible ADMET predictions with audit trail. Export standardized reports for submissions.

  • Audit trail
  • Reproducible results
  • SDF export & timestamped reports

Clinical Teams

Self-service property lookups for comparator molecules. Quick ADMET checks without needing a chemist.

  • Simple search interface
  • Property comparisons
  • Drug database access

Investors & Analysts

Quick molecular due diligence. ADMET profile checks on portfolio compounds.

  • Free tier sufficient
  • Drug database & property predictions
  • Blog research
API Showcase

Integrate into Any Workflow

Production-Ready, Developer-First

  • REST API with JSON responses
  • Python and JavaScript examples
  • Batch processing for high throughput
  • Webhook notifications for long-running jobs
Python
import requests

API_KEY = "mf_your_api_key"
BASE = "https://api.molforge.ai/v1"

# Batch property prediction
response = requests.post(
    f"{BASE}/molecules/batch",
    headers={"X-API-Key": API_KEY},
    json={
        "smiles_list": [
            "CC(=O)Oc1ccccc1C(=O)O",
            "CC(C)Cc1ccc(cc1)C(C)C(=O)O",
            "CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C"
        ]
    }
)
results = response.json()
Plans by Specialist

Recommended Plans

Pick the plan that fits your role — upgrade or add API credits anytime.

Specialist Recommended Plan Price
Consultants API Credits (pay-as-you-go) Usage-based
Cheminformatics Pro or API Credits $99/mo or usage-based
Data Scientists Pro $99/mo
Regulatory Affairs Team $79/seat/mo
Clinical Teams Free or Academic Free or $29/mo
Investors & Analysts Free Free
See full pricing
Plans

Pricing for Specialists

API-first pricing — from solo consultants to enterprise SLAs with dedicated infrastructure.

Pro

$99/mo

For consultants & solo data scientists

  • Unlimited lookups
  • 200 Docking simulations/mo
  • 50 QSAR models/mo
  • 20 MD simulations/mo
  • 15 RL generations/mo
  • 10 FEP calculations/mo
  • 10,000 API calls/mo
  • Priority support
  • Marketplace access — 12% fee
Start Pro Plan

Enterprise

Custom 

API SLA, dedicated infra & compliance

  • Unlimited API calls
  • SLA guarantee — 99.9% uptime
  • Dedicated compute & rate limits
  • VPC deployment
  • SAML SSO & audit logs
  • Custom integrations
  • Dedicated support engineer
  • Marketplace access — 8% fee
Contact Sales

Get API Access

Start building with MolForge today — explore the docs or buy credits to hit the ground running.