☆32Feb 27, 2026Updated 5 months ago
Alternatives and similar repositories for AEV-PLIG
Users that are interested in AEV-PLIG are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Jul 13, 2026Updated last month
- BINANA (BINding ANAlyzer) analyzes the geometries of predicted ligand poses to identify molecular interactions that contribute to binding…☆25Jun 30, 2025Updated last year
- ☆29Mar 9, 2026Updated 5 months ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- ☆27May 15, 2019Updated 7 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.
- ☆32Aug 6, 2026Updated last week
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated last month
- ☆19Feb 27, 2026Updated 5 months ago
- Topological transformer for protein-ligand complex interaction prediction.☆46Nov 25, 2025Updated 8 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆175May 22, 2026Updated 2 months ago
- pKa estimates for proteins using an ensemble approach☆31Jul 24, 2026Updated 2 weeks ago
- LillyMol Public Code☆17Updated this week
- ☆20Jul 3, 2024Updated 2 years ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 3 months 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.
- ☆29Mar 16, 2023Updated 3 years ago
- Python code for generating Boresch restraints from MD simulations☆23Oct 11, 2025Updated 10 months ago
- ☆90Jul 19, 2023Updated 3 years ago
- ☆20May 21, 2026Updated 2 months ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆46Oct 2, 2025Updated 10 months ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆44Jul 17, 2025Updated last year
- Code for the paper "Learning to engineer protein flexibility".☆22Mar 24, 2026Updated 4 months ago
- ☆32Aug 28, 2025Updated 11 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- 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.
- ☆15Aug 8, 2025Updated last year
- Megalodon☆24Jul 22, 2025Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 7 months ago
- A model-context-protocol server for molecules.☆96Apr 20, 2025Updated last year
- Modelling protein conformational landscape with Alphafold☆61Aug 29, 2025Updated 11 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆42Oct 30, 2023Updated 2 years ago
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated 2 months ago
- Molecular filtering for drug discovery.☆75May 19, 2025Updated last year
- ☆66Feb 16, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Automated Adaptive Absolute alchemical Free Energy calculator☆123Jul 28, 2026Updated 2 weeks ago
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆54Jan 17, 2026Updated 6 months ago
- The Expanded Package for IET Solvation☆14Feb 6, 2025Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆64Updated this week
- MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral ang…☆31Jul 27, 2026Updated 2 weeks ago