Path |
Digest |
Size |
ml4chem/__init__.py |
sha256=46Yjk3fz9o8aTN8E95McnzpJcjGzVJmHmQqUZ5mXzfc
|
22 |
ml4chem/metrics.py |
sha256=fS1pdTvH3nkZlkSB_0lzVg0Lq-9Og6a24LeLeg5zZ4U
|
3730 |
ml4chem/utils.py |
sha256=PDONrU7bt5m5nvFc1a1w5OUyXt43FG5EaCVlOIvP9z8
|
6563 |
ml4chem/visualization.py |
sha256=oX2tzvVOsWNHzRVCDWCATXVuewYLD2vMYJTIbDxG55I
|
12928 |
ml4chem/atomistic/__init__.py |
sha256=oV2i04-5_QYtpAbjiGaAzeS9qICGCztoDbrhb8zK5hE
|
79 |
ml4chem/atomistic/potentials.py |
sha256=OmmsPJ6at89SRlEOHor7zpEXR1XNGDlsrMrLrfZgm-8
|
13907 |
ml4chem/atomistic/features/__init__.py |
sha256=Klx758Jdslwuk0xkQk_6BVP_p2oNImLgCUaH9QnDEJ4
|
322 |
ml4chem/atomistic/features/autoencoders.py |
sha256=_L6G2uvl04m9KvlWdZ4CqcWbXGCy9A3qmgZrnVulwGE
|
7534 |
ml4chem/atomistic/features/base.py |
sha256=jMPKYy5PhVFoDEmCWXxJehx_nTcOrGO5XMbP_-ia7MY
|
2482 |
ml4chem/atomistic/features/cartesian.py |
sha256=KrmtgoOdGzTQu-YioCgyY9Yj1sfBpkSPbUkwK5nw-jA
|
11510 |
ml4chem/atomistic/features/coulombmatrix.py |
sha256=0BgdtBeDa6zAc8umPWDyXALWpVdvM_8I7LsrtJqc-ok
|
11317 |
ml4chem/atomistic/features/cutoff.py |
sha256=m9BNTo-zuNKkrNh48AczwQY3N3mjn3w0kp7trKNHLAs
|
694 |
ml4chem/atomistic/features/gaussian.py |
sha256=vDhUcIb71l_PgYzSvm2RfJCzj4UOfuAK0IilgEJr_jg
|
35820 |
ml4chem/atomistic/models/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
ml4chem/atomistic/models/autoencoders.py |
sha256=QUZBrIB_9gxjyk-Gxkvmkm_eSs5oME7SxhYH1q7Xrig
|
40872 |
ml4chem/atomistic/models/base.py |
sha256=ZTgc1qlgu21gEVrbE7KXVRGXweOhga2gbUmIXYN6X4U
|
1674 |
ml4chem/atomistic/models/gaussian_process.py |
sha256=lQACIQO5cSyVoT6DIqN2PiIHI0dQ2Hn86EL6g7zQyJw
|
6889 |
ml4chem/atomistic/models/kernelridge.py |
sha256=AKyO4UAcS0LPORPUF_lEEDedD617XoWevswAtxgg740
|
22775 |
ml4chem/atomistic/models/loss.py |
sha256=R1Vu9_3ohE9N5e3khqCUKj4dpmc3ArEuATwe2L5tFq4
|
9941 |
ml4chem/atomistic/models/merger.py |
sha256=blYsSXPaWQbYMygLhDfzk2pqzlLh2UwXsuTPyzZ8e18
|
18850 |
ml4chem/atomistic/models/neuralnetwork.py |
sha256=IQxBR-utHrFrFulkT6HdPx9NpErGrgyqTY_5TeDnDWQ
|
25404 |
ml4chem/atomistic/models/se3net.py |
sha256=sgqTOhROnpBZUN3sfVbKbQPSXS2gZSRePCOy5DBQ76s
|
2026 |
ml4chem/backends/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
ml4chem/backends/available.py |
sha256=YNcHvbBVVLH0Qjvgv2vTkj247TL-4yqcHabIqwn_bng
|
1021 |
ml4chem/backends/operations.py |
sha256=_NbrA-rwIu8mewnas7arKgmNCto3puF9pisNo0Qc2as
|
2124 |
ml4chem/data/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
ml4chem/data/handler.py |
sha256=VgpvuA5SfzYOL4MtzK_43JgZT7vkfpk2P-r45mb6kxo
|
6312 |
ml4chem/data/parser.py |
sha256=EIvF5Mlnef50huP5ocGfCoYmSB9VkfKSazqIvl0IoJg
|
4169 |
ml4chem/data/preprocessing.py |
sha256=iAEjwol06mB0hYJEhSQ4_RLXfmDeoq4cpNv1xzgKHv4
|
5401 |
ml4chem/data/serialization.py |
sha256=FN04WhV6nObzjd_WsXVscftXy6gFDdtXXDHAYcXoIfM
|
1234 |
ml4chem/data/utils.py |
sha256=ZAPwMoXPwrQ5ey8ognwYgFkSLlS7wbZ7shp-kR2A-s8
|
2256 |
ml4chem/optim/LBFGS.py |
sha256=zcWb92KWIGfhwFkXjojtoahipbWT5oXdSy2JIj46c60
|
44044 |
ml4chem/optim/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
ml4chem/optim/handler.py |
sha256=G-pLHhgzI3SDzdHdQuIwZv17mRRud0V2rl4NEZWVy1Q
|
4833 |
ml4chem-0.0.9.data/data/LICENSE |
sha256=1iCeZcNnzuCmmkqQLJh_GQLUWsDrfuIz7PFzEFTY5mw
|
2454 |
ml4chem-0.0.9.data/scripts/ml4chem |
sha256=yR7JHTu7Y5X2CYdKBWR_EQC-FXuYSRKoWvNx60T9aG8
|
1372 |
ml4chem-0.0.9.dist-info/LICENSE |
sha256=1iCeZcNnzuCmmkqQLJh_GQLUWsDrfuIz7PFzEFTY5mw
|
2454 |
ml4chem-0.0.9.dist-info/METADATA |
sha256=Rlk9AYSCOO9ZO3v1lZDPBroyRRDpnsORKIjS1HvYPFc
|
4339 |
ml4chem-0.0.9.dist-info/WHEEL |
sha256=S8S5VL-stOTSZDYxHyf0KP7eds0J72qrK0Evu3TfyAY
|
92 |
ml4chem-0.0.9.dist-info/top_level.txt |
sha256=xfUEBMUHpj7xKBVNBmJgTAMjJWe2x8n1aAQcL54zsMc
|
8 |
ml4chem-0.0.9.dist-info/RECORD |
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