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80 积分 2023-07-31 加入
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
4个月前
已完结
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
8个月前
已完结
Deep contrastive learning of molecular conformation for efficient property prediction
10个月前
已完结
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
11个月前
已完结
Designing molecules with autoencoder networks
1年前
已完结
Accurate quantum chemical energies for 133 000 organic molecules
1年前
已完结
ChemDB: a public database of small molecules and related chemoinformatics resources
1年前
已完结
ConjuPepDB: a database of peptide–drug conjugates
1年前
已完结
Machine learning with quantum chemistry descriptors: predicting the solubility of small-molecule optoelectronic materials for organic solar cells
1年前
已完结
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
1年前
已完结
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