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Misc #19

Merged
merged 15 commits into from
Mar 19, 2024
Merged

Misc #19

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d41b56c
add test/predict config examples for schnet/gemnet
BerAnton Mar 4, 2024
6558547
add readme for run configuration
BerAnton Mar 4, 2024
304508f
modified setup.py: precise versions for crucial dependencies
BerAnton Mar 15, 2024
0e4f8ec
add dependencies for PyG
BerAnton Mar 15, 2024
26ef096
remove old links, updated names
BerAnton Mar 15, 2024
47fb67f
datasets links updated
BerAnton Mar 15, 2024
46f1a42
fix setup
BerAnton Mar 15, 2024
d294eb8
fix setup
BerAnton Mar 15, 2024
527c3f0
Merge branch 'qhnet' into misc
BerAnton Mar 16, 2024
58d8965
fix graphormer3d cfg
BerAnton Mar 18, 2024
a870b7d
rename equiformer model name
BerAnton Mar 18, 2024
66894d9
remove temp workaround for dataset w/o forces
BerAnton Mar 18, 2024
571de42
updated models checkpoints links
BerAnton Mar 18, 2024
57256b6
qhnet fixes
BerAnton Mar 18, 2024
b6f5b45
make hamiltonian dataset reading from disk
BerAnton Mar 19, 2024
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Merge branch 'qhnet' into misc
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@BerAnton
BerAnton committed Mar 16, 2024
commit 527c3f0ac43ccfc435b5fabde3266b333a95e70c

This merge commit was added into this branch cleanly.

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