fergaljd / cyclopsLinks
☆16Updated 5 months ago
Alternatives and similar repositories for cyclops
Users that are interested in cyclops are comparing it to the libraries listed below
Sorting:
- RF-Score-VS binary☆31Updated 6 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- MD pharmacophores and virtual screening☆33Updated last year
- Open-source online virtual screening tools for large databases☆23Updated 11 months ago
- ☆48Updated last month
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 4 years ago
- ☆33Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆27Updated last month
- ☆91Updated 4 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- ☆18Updated 2 years ago
- An open library to work with pharmacophores.☆45Updated last year
- ☆14Updated 3 years ago
- 3D ligand-based pharmacophore modeling☆49Updated last month
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated last week
- Fully automated high-throughput MD pipeline☆61Updated last week
- ☆28Updated last year
- Computational Chemistry Workflows☆53Updated 2 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- ☆20Updated 2 years ago
- ☆21Updated 4 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 4 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- ☆45Updated 4 years ago
- ☆37Updated 3 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago