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 3 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 5 years ago
- Set of useful HADDOCK utility scripts☆56Updated 3 months ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- Tools for molecular Docking☆27Updated 5 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆44Updated 3 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 8 months ago
- A Python script to map PDB ID + chain ID to UniProt ID.☆18Updated last year
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago
- ☆33Updated last year
- An analysis of a new experimentally-derived nucleic acid binding chemical library☆26Updated 2 years ago
- The code for the QuickVina homepage.☆36Updated 3 years ago
- Computational Analysis of Novel Drug Opportunities☆40Updated 2 months ago
- Protein Structure Analysis☆63Updated 2 months ago
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆17Updated last year
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆77Updated 8 months ago
- ☆52Updated 2 weeks ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated this week
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆26Updated 2 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆43Updated last week
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- ☆38Updated 4 years ago
- Automated QSAR based on multiple small molecule descriptors☆44Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago