Rose-STL-Lab / LIMOLinks
generative model for drug discovery
☆64Updated 3 weeks ago
Alternatives and similar repositories for LIMO
Users that are interested in LIMO are comparing it to the libraries listed below
Sorting:
- ☆60Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆49Updated 3 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆109Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆57Updated 3 years ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Updated 2 years ago
- ☆93Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 4 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆49Updated 2 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆98Updated 2 years ago
- Pose checks for 3D Structure-based Drug Design methods☆92Updated last year
- ☆70Updated 2 years ago
- ☆64Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- ☆63Updated 5 months ago
- ☆76Updated 3 years ago
- Molecular Out-Of-Distribution☆39Updated 7 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆43Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.☆27Updated last week
- ☆37Updated 7 months ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 4 years ago
- coming soon☆28Updated 2 years ago
- ☆64Updated 4 years ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆62Updated 2 years ago
- ☆57Updated 4 months ago