Path |
Digest |
Size |
fairchem/applications/cattsunami/DATASET.md |
sha256=i4clmjsEXAZMqCnJru4J7qeDLNSA5fUGgx3qT-k0Kto
|
2667 |
fairchem/applications/cattsunami/README.md |
sha256=H6LCzIN8voUmUU3Jjnkknte5D5zBTH4ceYk2q6Fnn5U
|
2913 |
fairchem/applications/cattsunami/__init__.py |
sha256=g7nrvNvry8mqfTTB4r1J_C3_fKX_ORIBga33YXrFNTI
|
421 |
fairchem/applications/cattsunami/summary_fig.png |
sha256=ZEHz0DRUKEQbE3c6EsvIjJqLWFmXwwVUKzLhalwH-8k
|
771334 |
fairchem/applications/cattsunami/core/__init__.py |
sha256=QLGJRf3ITKJpJeJhrtWQfv5fZ7iN_Q0hPaWq_-YUjSM
|
128 |
fairchem/applications/cattsunami/core/autoframe.py |
sha256=O-29MTAL6g_94iwXRKq0OnhjimeIakl31goO7uNDUOg
|
69380 |
fairchem/applications/cattsunami/core/ocpneb.py |
sha256=_elNO1J--ALs1sTAO-DEL7mv2U2p6foz2uMtfqVdmxU
|
11389 |
fairchem/applications/cattsunami/core/reaction.py |
sha256=YkcuKcQEvxPzPznGf8IFjEVwqRVYbVfXppwe4sNkZwk
|
4397 |
fairchem/applications/cattsunami/databases/__init__.py |
sha256=6e5fXoUwEbvwi7Jsq0cV1mYJdHMRBI_u8wSfx7tEABs
|
310 |
fairchem/applications/cattsunami/databases/desorptions_9Aug23.pkl |
sha256=5WZ71rcyOS5FZbzYZyz55iRiiwLPpXqS0nMv1W_JSTQ
|
1793 |
fairchem/applications/cattsunami/databases/dissociation_reactions_22May24.pkl |
sha256=Wh3-2nQzFzW6BxzrC5QQxhvQjLf_RI4TmcY17JOgymg
|
5408 |
fairchem/applications/cattsunami/databases/transfers_5Sept23.pkl |
sha256=Y2miPikZhSGUASWeOIhQw-4hmEpHXFSQTCsSmG1GW0Q
|
4032 |
fairchem/applications/cattsunami/run_validation/run_validation.py |
sha256=vmSHu0J_pei6_E5GLkWeBEvQIaR_UnAGsRfxqac-0eM
|
14602 |
fairchem/applications/cattsunami/run_validation/run_validation.sh |
sha256=fqpzcWSo9tVESOH4OX-d6KlNqx4Zxa5t4cpk_Q3Mp6o
|
388 |
fairchem/applications/cattsunami/run_validation/mapping_files/desorption_mapping.pkl |
sha256=i2c3OZxwphZtyYIYFsDSoN2C3VCTS1ib6p7sSMNiOcA
|
35873 |
fairchem/applications/cattsunami/run_validation/mapping_files/dissociation_mapping.pkl |
sha256=IRi4gdJk5D2DTbB3roR3PFWOArKxUujN7KzIam6lTuQ
|
41063 |
fairchem/applications/cattsunami/run_validation/mapping_files/transfer_mapping.pkl |
sha256=nua66pMvHdKe1_Zcc6rl-H1nMCMYIDTpxoJ3D3SRcwU
|
50571 |
fairchem/applications/cattsunami/tutorial/cattsunami_tutorial.ipynb |
sha256=Nan7IeCxf9TX6UrCrdHS0ZVo_ldKmxps8-f44PRWDsA
|
10848 |
fairchem/applications/cattsunami/tutorial/dissociation_scheme.png |
sha256=RrU3RZjUVR6bA5xxwlZUOk6mrhLpaejZkI34T5JFjKI
|
82245 |
fairchem/applications/cattsunami/tutorial/fairchem_models_for_nebs.ipynb |
sha256=MhCTswbJXrkXXA4sim8Vi1JSgGtMT6dB8lSt_9scQWc
|
6378 |
fairchem_applications_cattsunami-0.1.0.dist-info/METADATA |
sha256=6o2g0epBPbONg6Ydmwlw7Peh2_i2TplqEmukdfGOVSw
|
6114 |
fairchem_applications_cattsunami-0.1.0.dist-info/WHEEL |
sha256=fl6v0VwpzfGBVsGtkAkhILUlJxROXbA3HvRL6Fe3140
|
105 |
fairchem_applications_cattsunami-0.1.0.dist-info/RECORD |
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