Pay for compute, not for seats
Qchemvyx is priced per compute credit — each credit covers one DFT geometry optimization at the 6-31G* level. Purchase blocks for your team; pay only for calculations that successfully converge.
Choose the right compute level for your team
Research
Individual computational chemist or small academic group
- Up to 50 DFT calculations/month
- B3LYP, PBE0 functionals
- 6-31G*, 6-311G** basis sets
- Reaction pathway scans (5/month)
- CSV + SDF output export
- Email support
- Batch screening (500 structures)
- Priority compute queue
14-day free trial · no credit card required
Start Free TrialTeam
Computational chemistry team at an industrial R&D lab
- Up to 300 DFT calculations/month
- All functionals including ωB97X-D
- All basis sets up to 6-311G++**
- Unlimited reaction pathway scans
- 500-structure batch screening workflows
- API access (1,000 req/day)
- Priority compute queue
- Priority support + onboarding call
Enterprise
Large pharma, specialty chemicals, and national labs with high-throughput needs
- Unlimited calculations
- Dedicated compute allocation
- Custom functional/basis set configurations
- On-premise or private cloud deployment
- ELN integration support
- Custom NDA and data residency agreement
- SLA + dedicated account manager
How compute credits work
1 credit = 1 structure at 6-31G*
A single DFT geometry optimization at the 6-31G* level. Higher basis sets consume proportionally more: 6-311G++ = 2 credits; aug-cc-pVTZ = 4 credits. Only charged for successful convergence.
Reaction pathway = 8 credits
NEB + TS optimization + IRC calculation at B3LYP/6-311G++. 16 NEB images included. Climbing-image NEB and tighter convergence available at no additional credit cost.
Batch discount on screening runs
500-structure screening batches receive a 20% per-structure discount versus individual submission. Batch discounts stack with Team and Enterprise plan credits.
Pricing FAQ
Research and Team plan credits do not roll over between months. Enterprise plans can negotiate rollover pools and annual commit discounts.
No. Qchemvyx accelerates the computational screening phase — it helps your team identify the most promising candidates before committing synthesis resources. DFT accuracy depends on functional and basis set selection; our platform provides guidance but the chemist makes the final methodology decision. Experimental validation in the fume hood is not replaced by computational screening — it is made more targeted by it.
Yes. Academic research groups at accredited universities are eligible for a 40% discount on the Lab plan. Contact [email protected] with your institution email.
Yes. Credits can be purchased at the standard per-credit rate at any time and added to your existing balance. Batch top-ups of 200+ credits qualify for bulk pricing.
Credits are not consumed for jobs that fail due to convergence issues. You're only charged for successfully completed calculations. Our team reviews all failure cases for systematic issues.
Research plan: no commitment. Team plan: monthly. Enterprise plans: typically annual with quarterly payment options available.