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Search results for drug discovery molecule generation

drug-discovery x

molecule-generation x

9 search results found

Reinvent4 ⭐ 150

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

Reinforced Genetic Algorithm ⭐ 46

Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm

Geometric Latent Diffusion Models for 3D Molecule Generation

Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)

Reinvent Randomized ⭐ 20

Recurrent Neural Network using randomized SMILES strings to generate molecules

MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')

CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)

Paccmann_chemistry ⭐ 11

Generative models of chemical data for PaccMann^RL

Paccmann_generator ⭐ 6

Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).

Related Searches

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Molecule Drug Discovery (35)

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Graph Neural Networks Drug Discovery (17)

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Python Molecule Generation (8)

Reinforcement Learning Drug Discovery (7)

Drug Discovery Geometric Deep Learning (7)

1-9 of 9 search results

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