Path |
Digest |
Size |
mlip_arena/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
mlip_arena/jobs/__init__.py |
sha256=y3WYPT6AGOdCswgw1dxE2_DOian1aJi5ILAurC6w5-A
|
1301 |
mlip_arena/jobs/run.py |
sha256=z_P9WzcRMJFGEvpupF2tI6lgjR82Fcs6qUbygzOLWAM
|
343 |
mlip_arena/models/README.md |
sha256=_X5uUfpLkqZlDiYK0sAqnsRnZRlmdkFq8MVUpBUqZck
|
635 |
mlip_arena/models/__init__.py |
sha256=KmQmRRnfc8-3aHGKRV_9ixHFnPDlwrU1nxafUylQLZo
|
3051 |
mlip_arena/models/chgnet.py |
sha256=XuKnLv9m7Pvgo8tpcBVXjNPyb1GRkxUFXn7fbUYAJfU
|
1669 |
mlip_arena/models/externals.py |
sha256=-4JsqVJlJ67mltT0bu_euAIylK4YZwEe291uybPWeuo
|
9083 |
mlip_arena/models/mace.py |
sha256=614-zPNKhpl-3QJlzETijmXKL3Qsctalynomo-U4f6Q
|
1882 |
mlip_arena/models/registry.yaml |
sha256=eW9rZM7f9f0Va6ZUciqQaPHhMCaiCeKIwqF9nfUCVgM
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5333 |
mlip_arena/models/utils.py |
sha256=v606OK2Fqas0gdJB1Rd85Ci1hRa1r2wVWk2cAoiII3M
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1290 |
mlip_arena/models/externals/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
mlip_arena/models/externals/alignn.py |
sha256=bsju543bkj2NXxwiXrkBDEQSzB7dUyqsX7KPBn0SPdI
|
495 |
mlip_arena/models/externals/chgnet.py |
sha256=KfLgSTkF9A4IT0mOIbMbENa_GHpu4I__y-xq-lOM-vM
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1165 |
mlip_arena/models/externals/equiformer.py |
sha256=Hkt1I5zsViSlFxSmAa1cInabwyCL1joi7ZY9Kz6Xq-0
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1359 |
mlip_arena/models/externals/escn.py |
sha256=YfiRCMI52L5YeO9iIWfuaMxYvamYonP6PnppFVNtDTM
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931 |
mlip_arena/models/externals/fairchem.py |
sha256=JH-DJjLnKXBN5VKlVx0BCHK7BPTO6bsF1Q0y_0iZZoE
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3392 |
mlip_arena/models/externals/mace-mp.py |
sha256=qrv8-OzyWzXw0OaA4N83FSdBCwOPRzEyjtF6pcv4nhk
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1236 |
mlip_arena/models/externals/mace-off.py |
sha256=kYjctj7T-RP5XloeKW-K8moeT2Ng-UxN-TPNbsnxDy4
|
1297 |
mlip_arena/models/externals/matgl.py |
sha256=aHtjc_YSP6UD9whbdEVss8syVXCIPnpdWdHe8J0dg8k
|
486 |
mlip_arena/models/externals/orb.py |
sha256=oiDYJGazYy771U5io_LAUEv1GgiIo4vS5aIWmyowcgI
|
1415 |
mlip_arena/models/externals/sevennet.py |
sha256=JKTfc3iRwcJdgYcvzjYMCpMI7SRrne6oX8jSPq3OoxI
|
431 |
mlip_arena/tasks/README.md |
sha256=OjGMeoEbIs0G2xOIVU4zqHfYbYofdNaOst9y8M1FdAs
|
479 |
mlip_arena/tasks/__init__.py |
sha256=0axSxu-Oxm8alKWrEyrvRd8g_QGFyFz-zZ_pjq9Z4AI
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1806 |
mlip_arena/tasks/md.py |
sha256=rpXXsV3aV_sOuYSS3i_hlPDy_wtqdUxHjvoMuTqLEsw
|
13407 |
mlip_arena/tasks/optimize.py |
sha256=ay73dk5RszQivFTvWJAylfoGQkGH4DLjxB8sxm_5RRE
|
3788 |
mlip_arena/tasks/registry.yaml |
sha256=f5UV8OhZsUqhhMvmNgai_ASk6UCxhysestTfhufe0mM
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603 |
mlip_arena/tasks/combustion/H256O128.extxyz |
sha256=TWEXSB_x4vuCA32RyvsbbzQ5nxbtfcnIbtfEDV7lL3s
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20857 |
mlip_arena/tasks/combustion/water.ipynb |
sha256=E488EF09MH-62egRRrmHGqIQ8YGIoKkW2PTYy4Kmnys
|
35059 |
mlip_arena/tasks/combustion/alignn/hydrogen.json |
sha256=L2ce8pJcJnYVV2CMoy4zPBR4xNeZwr1240ls0qzsIgQ
|
128 |
mlip_arena/tasks/combustion/chgnet/hydrogen.json |
sha256=DTTL8l-iKBcsEw-DVxoPHfCIdt_RJmrjtb_A5WAZbtg
|
130 |
mlip_arena/tasks/combustion/equiformer/hydrogen.json |
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|
130 |
mlip_arena/tasks/combustion/escn/hydrogen.json |
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|
131 |
mlip_arena/tasks/combustion/mace-mp/hydrogen.json |
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131 |
mlip_arena/tasks/combustion/matgl/hydrogen.json |
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130 |
mlip_arena/tasks/combustion/orb/hydrogen.json |
sha256=8CL7PsT36Fe5lCRtinNIFPjTrNmRXrY8gU4Qdl7aSqs
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131 |
mlip_arena/tasks/combustion/sevennet/hydrogen.json |
sha256=Fzukv7r2GWUM3866fmPaqf04a2Oglec2mCqyGxFaqgY
|
131 |
mlip_arena/tasks/diatomics/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
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0 |
mlip_arena/tasks/diatomics/run.ipynb |
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1295000 |
mlip_arena/tasks/diatomics/alignn/homonuclear-diatomics.json |
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132 |
mlip_arena/tasks/diatomics/chgnet/homonuclear-diatomics.json |
sha256=OynDvGHrNrJzliZthrvZDJnEmUHBHJeLqQCPUlnk9kY
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132 |
mlip_arena/tasks/diatomics/equiformer/homonuclear-diatomics.json |
sha256=AUNhrr9Ew4PUpyIdF2po18vgfRG2mwxzvHNTkcvqKnw
|
132 |
mlip_arena/tasks/diatomics/escn/homonuclear-diatomics.json |
sha256=yoJUjmbKxu6I6mgADsuq3CTqvbFywHXFGFAEyQu5D-Y
|
132 |
mlip_arena/tasks/diatomics/fairchem/homonuclear-diatomics.json |
sha256=fnZPJF5GT4xxe9C-TzrTfKczRyr3HQ8Evv66SRUrZXo
|
132 |
mlip_arena/tasks/diatomics/gpaw/homonuclear-diatomics.json |
sha256=MN_JpbzDyHTlFfn_07baIWwPxe08S2nOukfuXfO6F8w
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130 |
mlip_arena/tasks/diatomics/gpaw/run.ipynb |
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9103 |
mlip_arena/tasks/diatomics/gpaw/AlAl_AFM/traj.extxyz |
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13447 |
mlip_arena/tasks/diatomics/gpaw/BB_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/CC_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/ClCl_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/HH_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/HH_FM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/HH_NM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/HeHe_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/HeHe_NM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/KK_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/LiLi_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/LiLi_NM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/MgMg_FM/traj.extxyz |
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14644 |
mlip_arena/tasks/diatomics/gpaw/NN_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/NaNa_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/NeNe_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/OO_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/PP_AFM/traj.extxyz |
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11116 |
mlip_arena/tasks/diatomics/gpaw/SS_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/gpaw/SiSi_AFM/traj.extxyz |
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mlip_arena/tasks/diatomics/m3gnet/homonuclear-diatomics.json |
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mlip_arena/tasks/diatomics/mace-mp/homonuclear-diatomics.json |
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mlip_arena/tasks/diatomics/mace-off/homonuclear-diatomics.json |
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mlip_arena/tasks/diatomics/matgl/homonuclear-diatomics.json |
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mlip_arena/tasks/diatomics/orb/homonuclear-diatomics.json |
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mlip_arena/tasks/diatomics/sevennet/homonuclear-diatomics.json |
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mlip_arena/tasks/eos/__init__.py |
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mlip_arena/tasks/eos/run.ipynb |
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mlip_arena/tasks/eos/run.py |
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mlip_arena/tasks/stability/__init__.py |
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mlip_arena/tasks/stability/chgnet/chloride-salts.json |
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mlip_arena/tasks/stability/mace-mp/chloride-salts.json |
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mlip_arena/tasks/stability/orb/chloride-salts.json |
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mlip_arena/tasks/stability/sevennet/chloride-salts.json |
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134 |
mlip_arena-0.0.1a1.dist-info/LICENSE |
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11357 |
mlip_arena-0.0.1a1.dist-info/WHEEL |
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mlip_arena-0.0.1a1.dist-info/METADATA |
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mlip_arena-0.0.1a1.dist-info/RECORD |
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