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g-xTB Calculator API · Services on Ouro
@stefanbringuier
#chemistry
Jul 5
public
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g-xTB Calculator API
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Overview
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API for molecular calculations using g-XTB
Method
View
Name
Signature
Access
Uses
List Supported Formats
none
→
JSON
Public
3
Open menu
Health Check
none
→
JSON
Public
3
Open menu
Analyze Structure
file
→
JSON
Public
15
Open menu
Root
none
→
JSON
Private
1
Open menu
Calculate IR Spectrum
file
→
JSON
Public
9
Open menu
Calculate Thermochemistry
file
→
JSON
Public
8
Open menu
108
0
1
Attribution
·
v2.0.0
Usage
39 calls
Service usage over time
Success
MIT license
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