Auto3D/.gitignore,sha256=9WAkrAzNghK_0EAjYal0UsAVfmJayEZvwlhBzUchkqc,189
Auto3D/SPE.py,sha256=ViNHwKgb_frRfLU_k9sgoixN7vjzZSj7Zr3WNeM9MU0,7601
Auto3D/__init__.py,sha256=BSDv26rEzPsJ83uZ-ts-_cLzsCWa4CmgmFVmXEnTxGE,5384
Auto3D/auto3D.py,sha256=toNfdalSElRnu0nr5YPkIBMypa1O00fsEQ8MLtOGLfk,12387
Auto3D/auto3Dcli.py,sha256=kb0lY2_93496bhSi2LGIR-x31EaN5y-DZQCvCKM3LMg,9615
Auto3D/chunk_manager.py,sha256=MNJBvW8OgIfPrBb_V6pGwtkPhUFRO_yAWbZjK2zCY2I,12730
Auto3D/clash_relief.py,sha256=22KvBGfdUvtLgGARp1UNcKDqPNrgBOAQYlciBqOaTbM,5016
Auto3D/config.py,sha256=mvRmvDiA-1Bv-GEtwPYYT4Tz-yL2aJ-SI19FCifxyIQ,23235
Auto3D/constants.py,sha256=RXYxdbv8YyEAh97eP-A6XzumKXI6_6Ffd1eBeViJJ6E,9552
Auto3D/embedding.py,sha256=Y9Kn9Ebp-WuOapSDywdkM0B2vti6DM6fJ4hfO3spCto,7467
Auto3D/exceptions.py,sha256=iEgyn5S_HJJBmKq0b9Rw60flRnrnoLR78yizdGXiNZQ,4499
Auto3D/filtering.py,sha256=JkhcjGL9JxBw1lbBZVDXdHv3zhOyruEsw7ntKQZZGqI,16770
Auto3D/id_mapping.py,sha256=sJjxHkKUMyfmmDb7upuM507jUMIWxS0dyLnaimzgErY,8660
Auto3D/isomer_engine.py,sha256=XgwGxOjIzjYdWrTYNtigK1rgEOMGsDGccYQ0rwzZFmA,33697
Auto3D/job_layout.py,sha256=MR63dbhdrvGzcslKD9-324ZhYKNFELnB9UPJHEYITjs,5329
Auto3D/model_factory.py,sha256=3bbk3z0K97y_NuKoUK5xDQom4tzIIkmbQklV8evtsh0,11355
Auto3D/processors.py,sha256=hlIo2NiIIdVcZ-yMmhBSym7cJ4do06Yo7TcY5FoRAZE,1751
Auto3D/ranking.py,sha256=kPJJohfsiWpENdsMd-gDtYmsMw1Wsj9OKnyxlc1Ittk,26260
Auto3D/results.py,sha256=jmtKQUAWJq8qtJ6U59iKf7TSOsCRgTHF3oOCwFgPT4Q,3157
Auto3D/tautomer.py,sha256=c561NV_c3ow7yI48iTI3M6VLDS3uR4ZueIQFkz0zoOM,7303
Auto3D/torch_config.py,sha256=sjO4HfS-8jrbIatOQpgyYwJ0gqGJe6oNz0H7dRSmbOE,7604
Auto3D/workflow.py,sha256=SQ8A3Mu9hn7h5jxMRW_iPQWV4DRgyc_Z5txU-RNWDp0,29677
Auto3D/workflow_workers.py,sha256=Bc37MadTAQ50urN2RvNpTm8PVuuS8Y1B4ML1fCDtqUc,16592
Auto3D/ASE/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
Auto3D/ASE/geometry.py,sha256=Agbt0_2du3b68jyOw_se2_sLxc7HTnbXmbPCu2ODzkE,11325
Auto3D/ASE/thermo.py,sha256=10gSWXboDGPhZGTadO4EVdLXYda_9fxaWnyo8-QkUmc,89508
Auto3D/batch_opt/ANI2xt_no_rep.py,sha256=fmppRP9sIvjKRggRbVJ3mDt1ZYYVMcMiYI1KFIcgJfY,16914
Auto3D/batch_opt/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
Auto3D/batch_opt/batchopt.py,sha256=DyUE6LQcfv30BqRf-poN79RaMxVE817A5YQ_D3Z0Xlo,19272
Auto3D/batch_opt/fire_optimizer.py,sha256=NwP7ZmrJSJspUtfknkwaq_-r4zk42EhQoYU57v23XcI,9721
Auto3D/batch_opt/model_wrapper.py,sha256=VqSVhI9ZKEGod422IkcgshOZF8kAkKmdNPSCjDGui0s,11236
Auto3D/batch_opt/optimization_engine.py,sha256=p2_-P_NnI9Gg6cHeH1ZGulKtK8EvMxjNHxnte3MsT5I,23345
Auto3D/batch_opt/padding.py,sha256=Muao-cpLOJMqhvy2_Rgi34ZlZlw6g1IpzN2IDXwR3wo,4445
Auto3D/cli/__init__.py,sha256=3Q5gPL1Gd2ChbUosRMq42Q0RotaQf7EjdXoB13QorMY,720
Auto3D/cli/app.py,sha256=H-VEX_dUXEasDhQITqyINYwHuc5rOgiUu2JrrVC8CHs,18556
Auto3D/cli/config_schema.py,sha256=YFYuY9KVkpXfxEZBmh-FASCFTemvD-VA0eH9Anct12M,19914
Auto3D/cli/console.py,sha256=0Ai3gY00J1A_tIWb_5E-KRhohToM7vVndp17v9gL_fk,9421
Auto3D/cli/errors.py,sha256=agw_4LWK6mo2BtGlPszwIwrzInVU7bTgKq3_llKOzWE,10238
Auto3D/cli/progress.py,sha256=w7zpqDOsVVlcy9b4wjFZIDA7Xgwf_p5XlrPdWf3C3xU,4866
Auto3D/cli/results.py,sha256=86hCdolRoNdSa2C9GCJ1svTOUdh31aZyRcYAY7uPNlk,3444
Auto3D/cli/commands/__init__.py,sha256=gQ6tnU0Rvm0-ESWFUBU-KDl5dpNOpUTG509hXOQQjwY,27
Auto3D/cli/commands/config.py,sha256=wvam9u2dbU2duYQKP7t9bXXbsFKVLRV67rBSKTaO-3U,9732
Auto3D/cli/commands/models.py,sha256=W9bc7OFzDMuagzoiT-m0hqe_0B63LivLwL51Ce-ZNVg,11012
Auto3D/cli/commands/properties.py,sha256=Hp-lfsS4PaRepANGsDphw4o_B8HoXGXjESICxLf8LMI,10047
Auto3D/cli/commands/run.py,sha256=vU_QcnExETod99ssEKBYIpQJCgWAWlaZo342_93Hbzs,16477
Auto3D/cli/commands/validate.py,sha256=89YpsiL2n-o9etJOyTv26SDCM5sORyJYf5lBxdgYXJI,9219
Auto3D/isomers/__init__.py,sha256=RP2HA0ky-RJKsAbh7BUH8UwOmbZHLjPMhTGRTOjLLOQ,1217
Auto3D/isomers/base.py,sha256=sWLYhJgpGvmD8ScjkFfRJXMF7Kz4o1Hxs9Ph794vMnw,1158
Auto3D/isomers/factory.py,sha256=5oJX23WcuxI_ohHKBJtOLOUw0JH1rbbSkv08zdQ-c4k,9680
Auto3D/models/__init__.py,sha256=tP9CyvytnA5D4HHE-W9CAbNAH8LVP0m6a03VXfXLZx0,1341
Auto3D/models/adapter.py,sha256=y4nWVqIaIQUGUbwseEOGl6PFS9v6Tp3gAJJ_zB0pl6I,31974
Auto3D/models/ani2xt_no_repulsion.pt,sha256=VC41MGGtWtE3AgZCEAjy7L8Gm4aQlwZWEJ1jsoG2y6o,6870333
Auto3D/models/contract.py,sha256=8KrYwNrP4hiI0h0Y6DSNClvk-cKsEauq2mMcsiyD8wo,20243
Auto3D/models/loading.py,sha256=VDIFaBpX58eKPPwZrdNJsBp21Rpvf_tIi5oTBPeVsdY,3170
Auto3D/models/preflight.py,sha256=o-ndOiatDKxZiNobCKDgbliMLCVyKejlq3078V9ovDQ,10813
Auto3D/models/species.py,sha256=XIyelQc2ANnxqegX6eJGQrbdH0CEc5AnuNojwoTYP60,4710
Auto3D/utils/__init__.py,sha256=eoiQgalPOfrT9FbSpUugSB0Aei0VR-NXWPXljgOrm4U,2735
Auto3D/utils/atomic_io.py,sha256=72RP0ydPatv1e1-3REK9s69wfrjytY5seVi9OnabErk,4692
Auto3D/utils/connectivity.py,sha256=wZDQMtQPiyXjoOr7e-rKCLYPUj2aP_TmJNnLBlowKhU,7672
Auto3D/utils/convergence.py,sha256=L_sx-0awGWfBXVEFlfbY6pqMe-epRdN3mlZ0sxqs72U,2651
Auto3D/utils/energy.py,sha256=OvKkQFOlKc1zYpUEzVzMuTtY7EoJca8owCZ-VWJWN8c,4293
Auto3D/utils/geometry.py,sha256=NgeYf-xdEkP7-YTsj6aN0HIEbln7sRteVqN9zraksvE,3905
Auto3D/utils/logging_config.py,sha256=yQDoVGkAe8XIR1pLaDIa0yYICgJQ9efegecINpZWNF4,2387
Auto3D/utils/molprops.py,sha256=dWfdTxSgMQ-VY-rJFKepWYj8n3CyUORqi_VH5LFq4jk,2399
Auto3D/utils/output_guard.py,sha256=EbqhdiCKDoZgyhAaPDlnHTXBSKTnaRhFLDjVmhWFGkI,8005
Auto3D/utils/reconciliation.py,sha256=Pi3Q543av5SCYCBUYoQHTT0Cq4hC6dpfZmbyVFV5bmo,7397
Auto3D/utils/sdf_io.py,sha256=K3gvtpLjPvM5xKDuUze3kxTLZF3cTYoLL8R2W40zvV8,7301
Auto3D/utils/smi_io.py,sha256=Vut1xaRERPaPiSTwDW5j17t9qCtMIvzZVE-XJT5oAfc,9832
Auto3D/utils/stereo_check.py,sha256=di32CK9IVUQWZ05sBb72iiVJSR8tzwOqXxtOZ7trxhI,7606
Auto3D/utils/stereochemistry.py,sha256=FFinZXUCfhGPcUUtn4IkutRZd6eL-sZilVTV8_O9iG4,22611
Auto3D/utils/validation.py,sha256=6-iK3vgwAIROFIImmM3bfjAMVg4-zWQexSuQpGw3fQg,22121
auto3d-3.0.0.dist-info/licenses/LICENSE,sha256=33Y_EoYaR6eUgYKCd5OLqz6AGXQnez41Q-pcvRb0G-A,1086
auto3d-3.0.0.dist-info/METADATA,sha256=6ZSQQI1uSXt1IK5F7HgxCgkDDe8WoCujfF7-RL8VI38,9423
auto3d-3.0.0.dist-info/WHEEL,sha256=K260EYznzXsJYBQGqmI8VTxEdiZYNvDZwW9cBh9-_MA,91
auto3d-3.0.0.dist-info/entry_points.txt,sha256=axwsbZ1vJwcyXAdPXnRlTLff4wUXRVdy28hFNsNABG0,48
auto3d-3.0.0.dist-info/top_level.txt,sha256=AKsTsuplf1KzY9WZvdAv7qw-BOyi40n9s_gkDLpDWmk,7
auto3d-3.0.0.dist-info/RECORD,,
