generative model for drug discovery
β64Oct 25, 2025Updated 6 months ago
Alternatives and similar repositories for LIMO
Users that are interested in LIMO are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of MolSearch paperβ24Sep 9, 2023Updated 2 years ago
- π A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)β203Feb 12, 2023Updated 3 years ago
- Molecule Generation and Translation Framework. This is a joint PyTorch implementation of three papers in VAE-based molecule generation anβ¦β22Jun 8, 2022Updated 3 years ago
- Code for the paper "Molecule Design by Latent Space Energy-based Modeling and Gradual Distribution Shifting" in UAI 2023β15Nov 15, 2023Updated 2 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.β15Feb 20, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer β’ AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- β55Feb 3, 2022Updated 4 years ago
- β563Jul 10, 2022Updated 3 years ago
- β99Dec 19, 2022Updated 3 years ago
- β28Aug 20, 2022Updated 3 years ago
- β11Aug 3, 2023Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Modelsβ44Apr 4, 2023Updated 3 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023β49Sep 9, 2024Updated last year
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]β112Jul 20, 2023Updated 2 years ago
- iFeatureOmega is a comprehensive platform for generating, analyzing and visualizing more than 170 representations for biological sequenceβ¦β33May 23, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer β’ AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- β233May 23, 2024Updated last year
- source code for deppHopβ35Aug 19, 2022Updated 3 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)β170Sep 29, 2022Updated 3 years ago
- β62Oct 25, 2022Updated 3 years ago
- Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generationβ322Jan 4, 2024Updated 2 years ago
- Generative models of chemical data for PaccMann^RLβ13Jun 2, 2023Updated 2 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discoveryβ92Sep 2, 2025Updated 8 months ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pocketsβ401Nov 16, 2023Updated 2 years ago
- Twitter retrosynthesis botβ13Jul 10, 2022Updated 3 years ago
- Virtual machines for every use case on DigitalOcean β’ AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Reinforced dynamicsβ52Mar 31, 2025Updated last year
- Hierarchical Generation of Molecular Graphs using Structural Motifsβ435Jun 28, 2022Updated 3 years ago
- β35Sep 12, 2022Updated 3 years ago
- Associated Repository for "Translation between Molecules and Natural Language"β194Sep 15, 2023Updated 2 years ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistryβ843May 17, 2025Updated last year
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)β36Oct 15, 2022Updated 3 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Moleculesβ14Nov 21, 2022Updated 3 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"β31May 29, 2021Updated 4 years ago
- The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKitβ14Dec 12, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways β’ AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- β69May 11, 2022Updated 4 years ago
- Deep generative models of 3D grids for structure-based drug discoveryβ237Mar 10, 2023Updated 3 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networksβ56Feb 27, 2022Updated 4 years ago
- GNN enabled surrogate modeling for chemical dockingβ16Nov 3, 2022Updated 3 years ago
- This repo contains the collection of codes to find designer interfacial mutationsβ17Sep 4, 2023Updated 2 years ago
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedbackβ193Dec 17, 2024Updated last year
- β29Mar 16, 2023Updated 3 years ago