ljmartin / dockop
faster docking
☆19Updated 4 years ago
Alternatives and similar repositories for dockop:
Users that are interested in dockop are comparing it to the libraries listed below
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆45Updated 4 years ago
- ☆34Updated last year
- Cloud-based Drug Binding Structure Prediction☆37Updated last month
- ☆16Updated last year
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- ☆28Updated last year
- ☆23Updated 3 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- Yet another ML method comparison☆17Updated 2 years ago
- Shape-based alignment of molecules using 3D point-based representation☆21Updated last year
- Mordred port in cpp☆48Updated 2 months ago
- ☆43Updated 3 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆24Updated last month
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- RF-Score-VS binary☆31Updated 6 years ago
- ☆52Updated 2 months ago
- Model Evaluation Toolkit☆27Updated 6 years ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆18Updated 2 years ago
- ☆28Updated this week
- A knowledge-based method for determining small molecule binding "hotspots".☆35Updated last year
- Tautomer ratios in solution☆25Updated 3 years ago
- Synthetic Bayesian Classification☆41Updated 4 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆37Updated last month