☆28Aug 20, 2022Updated 4 years ago
Alternatives and similar repositories for MedusaGraph
Users that are interested in MedusaGraph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆16Jan 5, 2021Updated 5 years ago
- ☆15Dec 4, 2023Updated 2 years ago
- ☆12Aug 30, 2021Updated 5 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Jul 17, 2026Updated 3 months ago
- ☆17Nov 19, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- [ICLR 2025] "Fast and Accurate Blind Flexible Docking"☆15Feb 16, 2025Updated last year
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 3 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆34Aug 9, 2021Updated 5 years ago
- ☆119Apr 17, 2023Updated 3 years ago
- ☆23Oct 2, 2024Updated 2 years ago
- ☆67Jun 14, 2025Updated last year
- Open source code for TankBind. Galixir Tenchnologies☆189Nov 1, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆28Oct 31, 2022Updated 3 years ago
- This is the code for our paper Ligand Binding Prediction using Protein Structure Graphs and Residual Graph Attention Networks☆11Apr 29, 2022Updated 4 years ago
- ☆147Aug 8, 2024Updated 2 years ago
- ☆10Dec 20, 2023Updated 2 years ago
- Open source code for DyScore☆20Jan 9, 2023Updated 3 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆91Sep 2, 2025Updated last year
- ☆12Jul 31, 2020Updated 6 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 3 years ago
- DeltaVina scoring function☆43Apr 7, 2017Updated 9 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆65Mar 30, 2026Updated 7 months ago
- ☆64Oct 25, 2022Updated 4 years ago
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 3 years ago
- ☆81Apr 7, 2026Updated 6 months ago
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 6 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆49Jun 21, 2023Updated 3 years ago
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆20Jul 7, 2026Updated 3 months ago
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year
- Fusion models for Atomic and molecular STructures (FAST)☆92Jul 11, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆26Mar 11, 2022Updated 4 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆24Apr 29, 2023Updated 3 years ago
- ☆68May 11, 2022Updated 4 years ago
- Scripts for running alchemical, free-energy perturbation simulations using Gromacs☆18Feb 27, 2018Updated 8 years ago
- ☆15Feb 27, 2026Updated 8 months ago
- generative model for drug discovery☆66Oct 25, 2025Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆68Jul 2, 2024Updated 2 years ago