SHIFTML4: Pin upet dependency to current commit (#301) #2023
pfebrerArtifacts
Produced during runtime
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documentation
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77.1 MB |
sha256:d7537558559709cc2fe798921fd873238eb86f98800c29f0e19ee929955ee751
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example-batch-cp2k
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61.7 KB |
sha256:19d7b6198bcd76fa1aa7eb812349f54141528c66864ec497de226e401334a7d7
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example-bosons-fermions-pimd
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185 KB |
sha256:ae0009f79ab9336d34d6e3fdac0a039caad934f9c7f8637585585790163cdb91
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example-dos-align
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13.9 MB |
sha256:88ef09e7ee87c1028ac1d97dbb1acbcbc4f6873c984cb247ceb3a19d3b676b44
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example-eon-pet-neb
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3.39 MB |
sha256:9cca05dd697bfb8c38e63ca76b26dff1e61c84984f2a0c6a6531679c218042eb
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example-flashmd
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825 KB |
sha256:49f70cbf2f9411e10d590299be14794b8227ac9e80bf1ca6f2e85acf2274dd84
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example-gaas-map
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38.9 MB |
sha256:9f1bc589b82dad193e838ef1e964fb1f5cbf8f9bbf491484a5bccb4d67205f71
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example-hamiltonian-qm7
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122 MB |
sha256:66e3ee7239a8ba7dacf32bbf9e47fb1f7ecfc6d5ae38560db89842b4ad32b0eb
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example-heat-capacity
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123 KB |
sha256:20ef6ac239e43ff4d3c27e61acb6260cee194918f916a0518df15f05668d81e2
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example-learn-tensors-with-mcov
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1.44 MB |
sha256:614113914071c1d6554dab8c124b4d4b2cd3eace70155b3df42ab6adc387af72
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example-llpr-from-scratch
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4.84 MB |
sha256:d40ef840791b2767552dc0adbae159deb256dd7682785977497d5923e461bdc9
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example-lode-linear
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251 KB |
sha256:7621c3450930564c13a791fd4959f728f8f39219eea162f7c21380e9814f03f2
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example-lpr
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147 KB |
sha256:341cbaf9deea1ebfdc4d97dbb3942a3ff5c571f497abea35fb83dbc737a73a8e
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example-mendeleev
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1.2 MB |
sha256:35639cbfcead0102a3b18620969fbf682103d734c1d805c36acffb260cef4c3a
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example-metatomic-plumed
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503 KB |
sha256:712e6b963c2fd27a77a2c74e04f5ef0a79a31f9b248fb8ed45f484393932b205
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example-ml-density
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646 KB |
sha256:95a0c0d6d833d75bf9b619c67038faead30cc277f8741477869eaaa43aa8adb5
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example-ml-mm
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362 KB |
sha256:f8fb7a8db56395c24a86af1bd8ce0cd265e73672e396adea78e76a37c9505138
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example-path-integrals
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1.4 MB |
sha256:6f4d8e8d4a12b3e136e477a17ec5d029e607e3d38b1b1c2250356bd0e03fb0ea
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example-periodic-hamiltonian
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19.1 MB |
sha256:766c3a378d4d28acb209a4ee747a1db45e0cf8cb812cf7f7789bd437def400f8
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example-pet-finetuning
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2.4 MB |
sha256:48734eb8827ea3068802984fa0fb444709683f068ba0490052c452f1f6eb0d73
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example-pet-mad
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1.83 MB |
sha256:a1f6a41691567215071c7a33673356566eccafe09071d8709ffdb3acbaf74f1c
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example-pet-mad-dos
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2.73 MB |
sha256:fc6162d1adc9ffe01d73c00080039f4b509d67b32d8179f1e9302afe2da34652
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example-pet-mad-nc
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339 KB |
sha256:1873027f933e8f5d13ba1191f4dcabbc5299c965cb935af691090ea92b3a4264
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example-pet-mad-uq
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458 KB |
sha256:06d7144b3ee972af1e0bf147cc78aeda02811e8cd8c1b99c69a45c690b5b3557
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example-pet-phonons
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1.34 MB |
sha256:60d53e3396b53cf624dc767653019637be6aaf61efbe1b19f4da548f67b58e90
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example-pet-relaxation
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289 KB |
sha256:b792c11c9d2ce9614e667c295655d1feb52f849e6c83468081ee252ac004db28
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example-pi-metad
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2.97 MB |
sha256:2b8ce514e6b3602ed93b0d892da57f462000e42e508b606bdc2611fdfeb5e1a9
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example-pi-mts-rpc
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3.37 MB |
sha256:25613957ca261fcbdfc33b5514e27f5eb975f48b6e8c6073ec3bb2e8e8917a68
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example-polarizability
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142 KB |
sha256:ec73d9f1b4f42bafe0f1374002127f97d6dd53961ebea060ca6fa2e3b0c79269
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example-ring-polymer-instanton
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216 KB |
sha256:80f7f5ccabf3c2e770d36e561c84832544fdb630d38283f147d9758888db2a48
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example-rotate-equivariants
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138 KB |
sha256:a61c0874734f0677963589d2e3bb9047d12531febee6ce5f969946a738259a3a
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example-roy-gch
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1.21 MB |
sha256:c4b91d24500a9ffb2761cf95b4fd50688b982d85f97cfe4ff217a8a07607cbd0
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example-sample-selection
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20.6 MB |
sha256:fde6f84e3900f09d308329e53fe14aa5643ca2913eb5f412ae0e7eeb37e43fdc
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example-shiftml
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809 KB |
sha256:2febdc2990b63c99b95757e5a90f4f54024c08d25c49fff5d354457199604393
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example-shiftml-structure-match
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1020 KB |
sha256:5aea7b937c6612027b65442d8a20ee6332dbdf29aea6df317c44566b2b226fc2
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example-shiftml4
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402 KB |
sha256:af4640cf2575b4731ee384ee79fbb990b1b2a476458491629576adc56fcd13dd
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example-thermal-conductivity-bte
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289 KB |
sha256:4734a75efff0902866d4b4667aab59712e3f83916e4aff8cc3d9dcdf6c086e90
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example-thermostats
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12.7 MB |
sha256:4d3583b51f082aa192a1e32c3d071c141fa0f9cbcf15221dc3dba8113a4c9b83
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example-torchpme
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2.42 MB |
sha256:1c85f442b4384f576c08a7e4fc9902e566d3b18ec82bc831d426f26355090191
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example-water-ir-spectrum
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36.8 MB |
sha256:03db999557b4920bafa58650f1707d245b824e1d0b979b8072462b5329a1a82d
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example-water-md
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53 MB |
sha256:8c9016bf5be253b716c27a4bba5ee0b9e383eb6ca4a081e900e4acbb81f70654
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example-water-model
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428 KB |
sha256:343e9d37144e0d09f71ee1bb6e96c9ffc11778452f58dc556210a64105770a52
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example-water-pulsed
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357 KB |
sha256:5ec4afba16efbbf6909c3329eeba1cf411a929b59e238ca5f6c81ee3ef9d8544
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