☆28Aug 20, 2022Updated 3 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 4 years ago
- ☆17Nov 19, 2023Updated 2 years ago
- ☆13Dec 29, 2022Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆34Aug 9, 2021Updated 4 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- ☆118Apr 17, 2023Updated 3 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- ☆23Oct 2, 2024Updated last year
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Updated this week
- ☆28Oct 31, 2022Updated 3 years ago
- ☆67Jun 14, 2025Updated last year
- ☆142Aug 8, 2024Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Open source code for TankBind. Galixir Tenchnologies☆185Nov 1, 2023Updated 2 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆92Sep 2, 2025Updated 10 months ago
- ☆10Dec 20, 2023Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 3 years ago
- ☆63Oct 25, 2022Updated 3 years ago
- DeltaVina scoring function☆42Apr 7, 2017Updated 9 years ago
- Open source code for DyScore☆20Jan 9, 2023Updated 3 years ago
- Flexible Artificial Intelligence Docking☆19Aug 27, 2025Updated 10 months ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆87Jan 8, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 3 years ago
- PyRod - Tracing water molecules in molecular dynamics simulations☆59Oct 31, 2025Updated 8 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆50Jun 21, 2023Updated 3 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆63Mar 30, 2026Updated 3 months ago
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 5 years ago
- Fusion models for Atomic and molecular STructures (FAST)☆93Jul 11, 2023Updated 3 years ago
- AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.☆21Apr 5, 2024Updated 2 years ago
- ☆69May 11, 2022Updated 4 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆24Apr 29, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- Scripts for running alchemical, free-energy perturbation simulations using Gromacs☆17Feb 27, 2018Updated 8 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆66Jul 2, 2024Updated 2 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆49Sep 9, 2024Updated last year
- generative model for drug discovery☆64Oct 25, 2025Updated 8 months ago
- Water Network-Augmented Two-State model for Protein−Ligand Binding Affinity Prediction☆12Jun 10, 2023Updated 3 years ago
- ☆34Mar 19, 2023Updated 3 years ago