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22 search results found

Awesome Cheminformatics ⭐ 473

A curated list of Cheminformatics libraries and software.

Avogadrolibs ⭐ 408

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

Asciimol ⭐ 341

Curses based ASCII molecule viewer for terminals.

Avogadroapp ⭐ 166

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

Molecular Design Toolkit ⭐ 131

Notebook-integrated tools for molecular simulation and visualization

Periodic_trends ⭐ 67

Python script to plot periodic trends as a heat map over the periodic table of elements

Xyz2graph ⭐ 58

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

Electronvisualized ⭐ 53

Public Archive: Beautiful and Elegant Quantum Mechanics Visualization.

Bayesgrad ⭐ 48

BayesGrad: Explaining Predictions of Graph Convolutional Networks

Calculation and visualization of molecular networks based on t-SNE algorithm

A cross-platform application for visualization of molecular databases.

Correlationplus ⭐ 18

A Python package to calculate, visualize and analyze correlation maps of proteins.

Exatomic ⭐ 15

A unified platform for theoretical and computational chemists

Ternary_diagram ⭐ 12

This package makes it easier for you to draw beautiful ternary diagram without pymatgen.

Make better chemistry documentation.

Chainer Saliency ⭐ 11

Saliency calculation module for Chainer

Moleview ⭐ 11

MoleView: A Fast and lightweight plug-in for 3D molecular visualization

depict package for drawing molecules in R

Chemfilesviewer.jl ⭐ 9

Julia library to visualize molecules and other chemical structures

A lightweight, 3D molecular viewer for JavaScript and PureScript applications.

Trident Chemwidgets ⭐ 7

Jupyter Widgets to interact with molecular datasets.

Chem Tools Tutorials ⭐ 6

Computational chemistry software tutorials

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