☆14Jul 7, 2024Updated last year
Alternatives and similar repositories for MetalProGNet
Users that are interested in MetalProGNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Apr 14, 2023Updated 3 years ago
- ☆32Apr 9, 2024Updated 2 years ago
- ☆26Dec 6, 2025Updated 6 months ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Sep 15, 2023Updated 2 years ago
- KDS software for Kinase Drug Selectivity☆11Jun 8, 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.
- ☆13Nov 29, 2024Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- ☆13Jul 5, 2024Updated last year
- ☆45Jan 10, 2024Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆44Jan 22, 2024Updated 2 years ago
- 3D_Molecular_Generation☆115Nov 23, 2024Updated last year
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆14Oct 6, 2025Updated 8 months ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Updated this week
- ☆15Dec 4, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- custom clash rules☆13Mar 24, 2026Updated 2 months ago
- Design a local part of a protein☆20Jan 12, 2023Updated 3 years ago
- ☆21Aug 23, 2022Updated 3 years ago
- ☆12Jun 14, 2022Updated 4 years ago
- ☆20Nov 1, 2022Updated 3 years ago
- ☆13Apr 4, 2025Updated last year
- Python Toolbox For Rosetta Silent Files Processing☆10Aug 2, 2021Updated 4 years ago
- ☆13Oct 9, 2024Updated last year
- ☆17Feb 13, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Python API for Pharmer☆12Jun 14, 2019Updated 6 years ago
- Molecular docking with Alchemical Interaction Grids☆31Nov 6, 2025Updated 7 months ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Jun 26, 2024Updated last year
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 years ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- ☆39Jun 10, 2023Updated 3 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆11Mar 22, 2024Updated 2 years ago
- Fully automated high-throughput MD pipeline☆97Mar 11, 2026Updated 3 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Public version for DistPepFold☆10Jul 17, 2025Updated 10 months ago
- ☆15Jan 27, 2025Updated last year