Dataset - LDM

Mol-AIR: A Molecular Optimization Framework with Adaptive Intrinsic Rewards

The Mol-AIR dataset is a molecular optimization framework with adaptive intrinsic rewards that performs efficient exploration for effective goal-directed molecular generation.
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Molecular Hypergraph Grammar Variational Autoencoder

Molecular optimization aims to discover novel molecules with desirable properties. Two fundamental challenges are: (i) it is not trivial to generate valid molecules in a...
- Dataset
- JSON

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