A set of tools for the acquisition and analysis of biological data.
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Updated
May 15, 2018 - Python
A set of tools for the acquisition and analysis of biological data.
Extension for creating visualizations of distance restraints in PyRy3D Chimera Extension
Predicting Protein – Ligand Interaction by using Deep Learning Models
A python wrapper for Imago OCR
Conversion of Protein Data Bank (PDB) structures for 3D printing
A Transfer Learning Framework for Organic Solar Cell Prediction using Multi Input Single Output Neural Networks
Open source molecular dynamics analysis tools for GROMACS
Collection scripts and workflows for data analysis on screening
Molecular viewer [Work in progress]
MSP - Molecular Structure Predictor
The templete for the web interactive ESF maps
Predict scalar coupling in molecules
Bash Script to iterate through .TIF Images in a folder and run the OSRA program to attempt to convert the TIF images into ChemDraw files (.CDXML).
Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
Utilities for manipulation/translation of input/output formats of quantum-mechanics based electronic structure codes
UCSF Chimera extension to explore and analyze GaudiMM & GOLD solutions
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