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Search results for generative model drug discovery

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9 search results found

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Deep generative models of 3D grids for structure-based drug discovery

Awesome Molecular Docking ⭐ 85

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

Awesome Denovo Papers ⭐ 53

Awesome De novo drugs design papers

Ligdream ⭐ 34

Novel molecules from a reference shape!

Official implementation of DrugGEN

Gflownet ⭐ 25

A PyTorch implementation of a Generative Flow Network (GFlowNet) proposed by Bengio et al. (2021)

Paccmann_rl ⭐ 20

Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(

Reinvent Randomized ⭐ 20

Recurrent Neural Network using randomized SMILES strings to generate molecules

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

Paccmann_chemistry ⭐ 11

Generative models of chemical data for PaccMann^RL

Pocket2drug ⭐ 9

Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.

HydrAMP: a deep generative model for antimicrobial peptide discovery

Paccmann_generator ⭐ 6

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

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