ljmartin / dockviz
docking visualization with py3dmol and streamlit
☆23Updated 4 years ago
Alternatives and similar repositories for dockviz:
Users that are interested in dockviz are comparing it to the libraries listed below
- Cloud-based Drug Binding Structure Prediction☆35Updated 2 weeks ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- Web cards/apps describing peptides☆28Updated last year
- ☆36Updated last year
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 5 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆40Updated last year
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- faster docking☆19Updated 3 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview☆13Updated 3 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- ☆14Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- ☆25Updated 3 years ago
- ☆32Updated 4 years ago
- ☆17Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆20Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆37Updated last year
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated 9 months ago
- ☆25Updated 10 months ago
- A lightweight visualization tool for molecules and their properties☆15Updated 7 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- ☆9Updated 3 years ago
- ChEMBL Similarity Search☆17Updated 4 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆18Updated 2 weeks ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year