4mo
Signature | Team | |||
|---|---|---|---|---|
Analyze Structure | file→JSON | Public | ||
Calculate Thermochemistry | file→JSON | Public | ||
List Supported Formats | none→JSON | Public | ||
Health Check | none→JSON | Public | ||
Calculate IR Spectrum | file→JSON | Public |
g-xTB Calculator API
Version 2.0.0API for molecular calculations using g-XTB
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