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chemgraph-loop / src /chemgraph /schemas

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ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy)

c509967 verified about 18 hours ago

calculators
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
__init__.py

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ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
agent_response.py

4.77 kB
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
ase_input.py

14.4 kB
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
atomsdata.py

730 Bytes
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
graspa_input.py

1.43 kB
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
graspa_schema.py

2.16 kB
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
mace_parsl_schema.py

6.4 kB
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
multi_agent_response.py

7.77 kB
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago
xanes_schema.py

2.73 kB
ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy) about 18 hours ago