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14 search results found

Rl_graph_generation ⭐ 216

Hgraph2graph ⭐ 151

Hierarchical Generation of Molecular Graphs using Structural Motifs

Guacamol_baselines ⭐ 117

Baselines models for GuacaMol benchmarks

Mol Instructions ⭐ 116

Mol-Instructions is a Large-Scale Biomolecules Instruction Dataset for Large Language Models.

Multiobj Rationale ⭐ 98

Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)

Code and pre-trained models for the paper "Domain-Agnostic Molecular Generation with Self-feedback."

Generation and Classification of Drug Like molecule usings Neural Networks

Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space

Ligdream ⭐ 34

Novel molecules from a reference shape!

Molecule_structure_generation ⭐ 15

Moleculesde ⭐ 15

A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23

Re Balanced Vae ⭐ 10

Code for our paper Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation.

Moleculegen ⭐ 6

Molecule generation code, related to OMG, but using a slightly different algorithm

LegoGram: optimized molecular grammars for new molecules discovery

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