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chemprop_example

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chemprop_example / scripts

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2 contributors

History: 1 commit

LudwigO's picture

add scripts

181b6d4 verified about 2 years ago

atom_bond_137k.sh

1.78 kB
add scripts about 2 years ago
barriers_cycloadd.sh

1.28 kB
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barriers_e2.sh

1.15 kB
add scripts about 2 years ago
barriers_rdb7.sh

1.11 kB
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barriers_rgd1.sh

1.11 kB
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barriers_sn2.sh

1.16 kB
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bde.sh

1.19 kB
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bde_charges.sh

1.76 kB
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charges_eps_4.sh

2.13 kB
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charges_eps_78.sh
2.14 kB
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hiv.sh

1.03 kB
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ir.sh

1.03 kB
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multi_molecule.sh

1.11 kB
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pcba_random.sh

1.06 kB
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pcba_random_nans.sh

1.08 kB
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pcba_scaffold.sh

1.07 kB
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pcqm4mv2.sh

1.03 kB
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qm9_gap.sh

1.09 kB
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qm9_multitask.sh

1.05 kB
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qm9_u0.sh

1.1 kB
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sampl.sh

3.07 kB
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timing.sh

1.35 kB
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uncertainty_ensemble.sh

1.54 kB
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uncertainty_evidential.sh

1.6 kB
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uncertainty_mve.sh

1.54 kB
add scripts about 2 years ago