chembl / notebooksLinks
notebook repository
☆11Updated 3 years ago
Alternatives and similar repositories for notebooks
Users that are interested in notebooks are comparing it to the libraries listed below
Sorting:
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆15Updated last year
- Workshops on Computational Biology organized by our lab☆10Updated last year
- Perform operations on chemical structures using Python.☆13Updated 2 years ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆18Updated 2 weeks ago
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆11Updated 3 weeks ago
- ☆36Updated 3 years ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆14Updated 2 weeks ago
- MD pharmacophores and virtual screening☆33Updated last year
- This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.☆11Updated 3 years ago
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆18Updated 7 years ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆48Updated 6 months ago
- A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow☆18Updated 7 years ago
- Compilation of chemoinformatics and machine learning techniques☆59Updated 2 weeks ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- 🧿 Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact 📽…☆43Updated 2 weeks ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆17Updated 2 months ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- ☆20Updated last year
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆69Updated 7 months ago
- Boosting Docking-Based Virtual Screening with Deep Learning☆32Updated 5 years ago
- A Consensus Docking Plugin for PyMOL☆75Updated last year
- ☆31Updated 5 years ago
- ☆27Updated 3 years ago
- Open-source online virtual screening tools for large databases☆28Updated last year
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 4 years ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- Interactive plots with chemical structures☆15Updated 5 years ago
- Python for chemoinformatics☆113Updated 4 years ago
- Tools for molecular Docking☆22Updated 2 weeks ago