NVlabs / RetMolLinks
A new retrieval-based framework for controllable molecule generation.
☆49Updated 2 years ago
Alternatives and similar repositories for RetMol
Users that are interested in RetMol are comparing it to the libraries listed below
Sorting:
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆43Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆109Updated 2 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆43Updated last year
- generative model for drug discovery☆65Updated 2 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆32Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 4 years ago
- coming soon☆28Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- ☆21Updated last year
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- The official implementation of dual-view molecule pre-training.☆42Updated 3 years ago
- Source code of MOLLEO☆50Updated 2 months ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆106Updated last year
- Molecular Out-Of-Distribution☆38Updated 5 months ago
- ☆60Updated 2 years ago
- ☆95Updated 3 months ago
- ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.☆26Updated this week
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆48Updated 2 years ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- ☆30Updated 2 years ago
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆79Updated last year
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Updated 2 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆80Updated 3 years ago
- Official repository for MolCRAFT series☆118Updated 2 months ago
- Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling☆16Updated 2 months ago
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆103Updated last year
- Generative model for molecular distance geometry☆38Updated 2 years ago