Fraunhofer-ITMP / Pharmaceutical-patent-landscaping
Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug discovery perspective"
☆13Updated last year
Alternatives and similar repositories for Pharmaceutical-patent-landscaping:
Users that are interested in Pharmaceutical-patent-landscaping are comparing it to the libraries listed below
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17Updated 2 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆58Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆34Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆45Updated 4 years ago
- ☆22Updated 3 years ago
- Code for "De novo molecular design with chemical language models"☆13Updated 3 years ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆20Updated 11 months ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆20Updated last year
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆15Updated last year
- ☆32Updated 4 years ago
- Write reproducible code for getting and processing ChEMBL☆73Updated last month
- ☆15Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆19Updated last month
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆29Updated 10 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆37Updated last year
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆19Updated last year
- ☆21Updated last year
- Chemistry-related Python utilities used in the RXN universe☆24Updated 8 months ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Python API for Pharmer☆11Updated 5 years ago
- cime public repository☆33Updated 2 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated 11 months ago
- Tool for mining structure-property relationships from chemical datasets☆15Updated 4 months ago
- Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.☆31Updated 2 weeks ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- ☆26Updated 2 years ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆10Updated 6 years ago
- ☆12Updated 5 months ago
- ☆34Updated last year