davidbajusz / fpkitLinks
FingerPrint Kit - Python-based cheminformatics package for fingerprint-related tasks
☆12Updated 4 months ago
Alternatives and similar repositories for fpkit
Users that are interested in fpkit are comparing it to the libraries listed below
Sorting:
- ☆30Updated 5 months ago
- RNA Structural Bioinformatics Crash Course & Data Science in Python☆11Updated 3 years ago
- a protein descriptor for site prediction☆16Updated 6 years ago
- ABC of chemoinformatics☆18Updated 7 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 4 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Computational Analysis of Novel Drug Opportunities☆39Updated last week
- docking visualization with py3dmol and streamlit☆24Updated 4 years ago
- ☆13Updated 4 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- Structural space exploration of AlphaFold DB☆12Updated 4 years ago
- Personal Notes☆23Updated 3 months ago
- Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.☆29Updated 3 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- ☆13Updated 5 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆43Updated 3 weeks ago
- ☆12Updated 6 years ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year
- MEGADOCK on Google Colaboratory☆18Updated 2 years ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆21Updated last month
- ☆33Updated 10 months ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- A bridge between Biotite and OpenMM☆15Updated 7 months ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆27Updated 6 months ago
- Benchmark interpretation of QSAR models☆15Updated 3 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Updated 3 years ago
- Script to facilitate the making of horizontal scripts☆19Updated last year