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LudwigO
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chemprop_example
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chemprop_example
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scripts
34.5 kB
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2 contributors
History:
1 commit
LudwigO
add scripts
181b6d4
verified
over 2 years ago
atom_bond_137k.sh
1.78 kB
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over 2 years ago
barriers_cycloadd.sh
1.28 kB
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over 2 years ago
barriers_e2.sh
1.15 kB
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over 2 years ago
barriers_rdb7.sh
1.11 kB
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over 2 years ago
barriers_rgd1.sh
1.11 kB
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over 2 years ago
barriers_sn2.sh
1.16 kB
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over 2 years ago
bde.sh
1.19 kB
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over 2 years ago
bde_charges.sh
1.76 kB
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over 2 years ago
charges_eps_4.sh
2.13 kB
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over 2 years ago
charges_eps_78.sh
2.14 kB
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over 2 years ago
hiv.sh
1.03 kB
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over 2 years ago
ir.sh
1.03 kB
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over 2 years ago
multi_molecule.sh
1.11 kB
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over 2 years ago
pcba_random.sh
1.06 kB
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over 2 years ago
pcba_random_nans.sh
1.08 kB
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over 2 years ago
pcba_scaffold.sh
1.07 kB
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over 2 years ago
pcqm4mv2.sh
1.03 kB
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over 2 years ago
qm9_gap.sh
1.09 kB
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over 2 years ago
qm9_multitask.sh
1.05 kB
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over 2 years ago
qm9_u0.sh
1.1 kB
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over 2 years ago
sampl.sh
3.07 kB
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over 2 years ago
timing.sh
1.35 kB
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over 2 years ago
uncertainty_ensemble.sh
1.54 kB
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over 2 years ago
uncertainty_evidential.sh
1.6 kB
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over 2 years ago
uncertainty_mve.sh
1.54 kB
add scripts
over 2 years ago
