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:
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆40Updated 10 months ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 3 years ago
- generative model for drug discovery☆59Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆92Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆122Updated last year
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆30Updated last year
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆79Updated 11 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆68Updated last year
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆63Updated last year
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- coming soon☆28Updated 2 years ago
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆98Updated 10 months ago
- ☆47Updated 2 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆77Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆34Updated 2 years ago
- The official implementation of dual-view molecule pre-training.☆42Updated 3 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Official repository for MolCRAFT series☆100Updated this week
- ☆38Updated last year
- Molecular Out-Of-Distribution☆37Updated 3 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆87Updated last year
- ☆96Updated last month
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- ☆57Updated 2 years ago