ProLIF
Fingerprint generator
Tool for generating interaction fingerprints from molecular dynamics trajectories and docking simulations
Interaction Fingerprints for protein-ligand complexes and more
377 stars
14 watching
71 forks
Language: Python
last commit: almost 2 years agoLinked from 1 awesome list
cheminformaticsdockingdrug-designdrug-discoverymdanalysismolecular-dynamicsrdkit
Related projects:
| Repository | Description | Stars |
|---|---|---|
| A comprehensive guide to chemoinformatics using Python and RDKit | 223 | |
| Library to read fingerprint sensors using MicroPython on ESP32 and other boards. | 16 | |
| Tools for analyzing and processing molecular dynamics trajectory data | 139 | |
| A deep learning framework for automatic and semi-automatic segmentation of 3D image stacks in connectomics | 172 | |
| A toolbox providing functions for data analysis in chromatography and mass spectrometry, written in MATLAB. | 67 | |
| A tool that automates the generation of input files for computational chemistry simulations | 42 | |
| Analyzes protein structures and simulations | 62 | |
| Analyzes Remote Desktop Protocol packets to generate unique fingerprints | 38 | |
| A toolkit providing tools and methods for simulating molecular systems using the OpenMM engine | 255 | |
| Versioned and shareable computational biology workflows for proteogenomics analysis. | 2 | |
| A deep learning toolkit for computational chemistry and drug design research | 684 | |
| A toolkit for computational pathology that provides tools and frameworks for analyzing biomedical images and data | 398 | |
| A Rust wrapper around libfprint library for fingerprint recognition and sensor functionality. | 11 | |
| A Python package for calculating molecular features. | 165 | |
| Generates numerical integration grids for molecules based on atom coordinates and basis set information. | 47 |