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