ssiddhantsharma / deep-purpose-tutorial
Repository for the HackBio'2021 Internship for Team Drug-Development-A
☆12Updated 3 years ago
Alternatives and similar repositories for deep-purpose-tutorial:
Users that are interested in deep-purpose-tutorial are comparing it to the libraries listed below
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- ☆36Updated 3 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- ☆18Updated 2 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆31Updated 4 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆25Updated last month
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated last year
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆14Updated 9 months ago
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆60Updated 2 months ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- ☆19Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated 10 months ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 6 months ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Workshops on Computational Biology organized by our lab☆10Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆25Updated 3 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆27Updated 10 months ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Cloud-based molecular docking for everyone☆11Updated 9 months ago
- Code for ApoDock☆19Updated 2 months ago
- Compilation of chemoinformatics and machine learning techniques☆57Updated last year
- ☆29Updated 3 years ago
- Use AutoDock for Ligand-based Virtual Screening☆20Updated 7 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