Novartis / pqsar2cpdLinks
pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
☆30Updated 2 years ago
Alternatives and similar repositories for pqsar2cpd
Users that are interested in pqsar2cpd are comparing it to the libraries listed below
Sorting:
- ☆52Updated 2 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 5 years ago
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Updated 4 months ago
- An analysis of a new experimentally-derived nucleic acid binding chemical library☆24Updated 2 years ago
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago
- Set of useful HADDOCK utility scripts☆54Updated this week
- Protein Structure Analysis☆55Updated 2 months ago
- ☆32Updated 9 months ago
- ☆33Updated last year
- Python implementation of common ADME properties.☆36Updated 2 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- ☆26Updated 3 years ago
- Tools for molecular Docking☆26Updated last month
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆36Updated this week
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- Recursion's molecular foundation model☆58Updated 3 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)☆31Updated 6 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆43Updated 2 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆74Updated last year
- ☆30Updated last year
- ☆10Updated 9 months ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- The official codebase of peptidy, a peptide processing tool for machine learning.☆33Updated 4 months ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆76Updated last year
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆25Updated 2 years ago
- Efficient manipulation of protein structures in Python☆57Updated this week