pb3lab / workshops
Workshops on Computational Biology organized by our lab
☆10Updated last year
Alternatives and similar repositories for workshops:
Users that are interested in workshops are comparing it to the libraries listed below
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆14Updated 9 months ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- For the purpose of post progressing of MD carried by gromacs☆21Updated 3 weeks ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆13Updated last year
- ☆13Updated 3 years ago
- Official Implementation of CompassDock☆18Updated 6 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆14Updated 11 months ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated last year
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆17Updated 2 months ago
- ☆16Updated 6 months ago
- Python API for Pharmer☆12Updated 5 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 6 months ago
- Code for ApoDock☆19Updated last week
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated 5 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- KDS software for Kinase Drug Selectivity☆11Updated last year
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆11Updated 10 months ago
- 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
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆18Updated 2 weeks ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- Perform probe-guided blind docking with FTMap and DOCK6☆10Updated last year
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆25Updated this week
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…☆20Updated 8 months ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆23Updated 5 months ago
- ☆21Updated 4 months ago