InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions
☆34Aug 9, 2021Updated 4 years ago
Alternatives and similar repositories for IGN
Users that are interested in IGN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆50Jun 21, 2023Updated 2 years ago
- ☆28Aug 20, 2022Updated 3 years ago
- PIGNet source code☆57Feb 13, 2022Updated 4 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- A program analyzing 3D protein structures from PDB to generate 2D binding motifs☆17Jul 18, 2021Updated 4 years ago
- 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.
- Biobb_amber is a BioBB category for AMBER MD package.☆15Jun 2, 2026Updated last week
- ☆15Nov 20, 2024Updated last year
- Statistical Analysis of Docking Results and Scoring functions☆21May 14, 2026Updated last month
- ☆15Dec 4, 2023Updated 2 years ago
- ☆18Sep 14, 2022Updated 3 years ago
- [WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility☆11Aug 8, 2023Updated 2 years ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆65Dec 17, 2025Updated 5 months ago
- Real time monitoring and visualization of Amber MD simulations☆17Feb 6, 2020Updated 6 years ago
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 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.
- ☆37Mar 21, 2021Updated 5 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.