Auto3D/.gitignore,sha256=9WAkrAzNghK_0EAjYal0UsAVfmJayEZvwlhBzUchkqc,189
Auto3D/SPE.py,sha256=l25r3PVRht_zRoBtxcp33uUe6Vea5aXUwa_8XV-PQYw,5785
Auto3D/__init__.py,sha256=UXjFAUc0khGYXHKI4FYbEZCizEkvlv_rRjy2v2alpKg,656
Auto3D/auto3D.py,sha256=XFX-BtTm_oQhhYZ_NBhIibeDqnvA1eCLtL0FnCw08KI,13022
Auto3D/isomer_engine.py,sha256=z04aWnLWKZqY8Y9PN_jtbNCw0NcFEsvVDtJRHRf54wI,11988
Auto3D/ranking.py,sha256=Qey9Dp1DgtuE3wV6rp-zeIt8T4VGQJDKEY2DDENHHL8,6812
Auto3D/utils.py,sha256=hCtBOwhbfIJh4j4ODGq9miLGz9xTbhP1MdffUD5Lhp0,22814
Auto3D/ASE/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
Auto3D/ASE/geometry.py,sha256=Imou0EVR_rS4MZnKXSpi1xw-8m-yXjjQ5msJKIS6cL8,6217
Auto3D/ASE/thermo.py,sha256=JN2TQVQbRHecaTZUk1Igj9m9UTyJtSNRpmMb0fdPW60,8534
Auto3D/batch_opt/ANI2xt.py,sha256=Hx4f5wCJOqJOwRkI1kR8LzROhWAI5FSDibYMqITqT0g,5009
Auto3D/batch_opt/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
Auto3D/batch_opt/batchopt.py,sha256=i_QVAwwx5ZDzumC6QFk_Tld6Vp5UQ79CDrm7kDD3AB0,16830
Auto3D/batch_opt/__pycache__/batchopt.cpython-37.pyc,sha256=vjqUkDH1TtbQsCbXu-9JeHLQ_HDNgY4ElBJHsGeKqzk,13745
Auto3D/models/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
Auto3D/models/aimnet2nqed_pc14iall_b97m.jpt,sha256=ETJHXHADeqExBFXw8eFXuLT0EviUdbIcNyH6xULGAdw,8662584
Auto3D/models/aimnet2nqed_pc14iall_b97m_sae.jpt,sha256=6MlJyq4CA1YpE7ipqZmT72m5bCHQ3fj7RdHvNv_mv1k,8664156
Auto3D/models/ani2xt_seed0.pt,sha256=dgfhAXDKzeF3FOIMEczt7KIwiKhNvK604dEOI67CWw8,6870333
Auto3D/models/ani2xt_seed22.pt,sha256=U7UpVSvN2J6QMzFG2b-BeUiiE3RN-aAQnP21i2N4fls,6870333
Auto3D/models/ani2xt_seed42.pt,sha256=cRWQflGGGTYCn2ONoWV8gaU9OzNahOGUksQJ2ANNrWs,6870333
Auto3D-0.1.11.dist-info/LICENSE,sha256=33Y_EoYaR6eUgYKCd5OLqz6AGXQnez41Q-pcvRb0G-A,1086
Auto3D-0.1.11.dist-info/METADATA,sha256=atK5-6ce2tSnp-69s34QV-hwWftKyyjYrBBlnlFbX74,9219
Auto3D-0.1.11.dist-info/WHEEL,sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA,92
Auto3D-0.1.11.dist-info/top_level.txt,sha256=AKsTsuplf1KzY9WZvdAv7qw-BOyi40n9s_gkDLpDWmk,7
Auto3D-0.1.11.dist-info/RECORD,,
