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chemgraph-loop / src /chemgraph /tools

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

c509967 verified about 18 hours ago

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

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

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

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

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

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

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

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

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

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

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

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

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

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