chembl / training_notebooksLinks
notebook repository
☆12Updated 3 years ago
Alternatives and similar repositories for training_notebooks
Users that are interested in training_notebooks are comparing it to the libraries listed below
Sorting:
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆17Updated last year
- Workshops on Computational Biology organized by our lab☆10Updated last year
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆12Updated 2 months ago
- This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.☆12Updated 4 years ago
- A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow☆18Updated 7 years ago
- Perform operations on chemical structures using Python.☆13Updated 2 years ago
- MD pharmacophores and virtual screening☆34Updated last year
- ☆37Updated 3 years ago
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆18Updated 7 years ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆23Updated 3 months ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- ☆20Updated last year
- ☆31Updated 5 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆14Updated 2 months ago
- This repository contains a QSAR model that predicts the ability of a chemical compound to inhibit the gene associated with Alzheimer's, B…☆11Updated 4 years ago
- Subset of AmberTools, with updates and modifications☆11Updated last month
- Compilation of chemoinformatics and machine learning techniques☆60Updated 4 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Top open source software from the top 50 pharmaceutical companies☆68Updated last year
- This repository contains setup instructions and the notebooks for the AI in drug discovery workshops☆18Updated 2 years ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆50Updated 10 months ago
- Python for chemoinformatics☆113Updated 4 years ago
- Tools for molecular Docking☆27Updated 4 months ago
- Boosting Docking-Based Virtual Screening with Deep Learning☆32Updated 5 years ago
- GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL☆12Updated 3 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆33Updated 5 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- A Consensus Docking Plugin for PyMOL☆79Updated last year
- 📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact☆79Updated last week