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]☆109Updated 2 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆45Updated last year
- generative model for drug discovery☆64Updated last month
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆106Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆43Updated 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)☆22Updated 4 years ago
- coming soon☆28Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- Molecular Out-Of-Distribution☆39Updated 7 months ago
- ☆20Updated last year
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆84Updated last year
- The official implementation of dual-view molecule pre-training.☆43Updated 4 years ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆49Updated 3 years ago
- ☆94Updated 2 years ago
- ☆40Updated last month
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆68Updated 2 years ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆108Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆81Updated 3 years ago
- Generative model for molecular distance geometry☆38Updated 2 years ago
- ☆96Updated 5 months ago
- Code for 'On Pre-trained Language Models For Antibody'☆32Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- ☆49Updated 3 years ago
- ☆31Updated 3 years ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated 2 years ago