dkoes / show_contactsLinks
PyMOL Plugin for displaying polar contacts
☆17Updated 6 years ago
Alternatives and similar repositories for show_contacts
Users that are interested in show_contacts are comparing it to the libraries listed below
Sorting:
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆20Updated 3 years ago
- Python code to automatically interact with PDBePISA web server☆11Updated 2 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated last month
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆22Updated 2 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 8 months ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- MMTSB Tool Set☆31Updated last month
- Open-source online virtual screening tools for large databases☆23Updated 11 months ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆21Updated 6 months ago
- Cloud-based Drug Binding Structure Prediction☆37Updated 3 months ago
- ☆33Updated last year
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆44Updated 2 weeks ago
- An implementation of the Solubility Forecast Index (SFI)☆21Updated 2 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 4 months ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated this week
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆25Updated 3 years ago
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆16Updated 4 months ago
- ChEMBL Similarity Search☆17Updated 4 years ago