PYSCFbeta
Quantum chemistry calculations on GPU in beta/testing stage, Linux-only.
What it does
Quantum chemistry calculations on GPU in beta/testing stage, Linux-only. Performs Density Functional Theory calculations to compute properties of small molecules. Requires GPU compute capability >= 6.0 and significant GPU memory.
- Drug discovery
- Protein folding
- Molecular dynamics simulations
- Quantum chemistry calculations on GPU
- In-silico binding assay (ISBA) for binding mode prediction
- Category
- Scientific models
- Users
- Volunteers contributing GPU computational power
- Public API
- Not offered
Not yet disclosed: deployment options, platforms, languages and support channels.
Pricing
- Free plan$0
Prices as published by GPUGRID, checked Oct 2026.
Security and compliance
No security details published yet
GPUGRID hasn't published certifications or security practices for PYSCFbeta that we could find. Ask their team for audit reports.
Reviews
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