Novartis / pqsar2cpd
pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
☆30Updated last year
Alternatives and similar repositories for pqsar2cpd:
Users that are interested in pqsar2cpd are comparing it to the libraries listed below
- Massively multitask stacked model for predicting activity of thousands of biological assays☆32Updated 3 years ago
- ☆85Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆66Updated 4 months ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- ☆30Updated 9 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆37Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆60Updated 6 months ago
- Set of useful HADDOCK utility scripts☆49Updated 4 months ago
- ☆31Updated last month
- ☆37Updated last year
- ☆45Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated 11 months ago
- Protein Structure Analysis☆51Updated last week
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆59Updated 3 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆24Updated this week
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆53Updated this week
- ☆24Updated 11 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated 3 months ago
- PyDock Tutorial☆30Updated 6 years ago
- ☆23Updated 3 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- Extended Connectivity Interaction Features☆30Updated 3 years ago
- RF-Score-VS binary☆30Updated 6 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆40Updated 4 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆30Updated 4 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆48Updated 6 years ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆20Updated last year
- A Python script to map PDB ID + chain ID to UniProt ID.☆15Updated 10 months ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago