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The Wayback Machine - https://web.archive.org/web/20200730185846/https://github.com/topics/molecules
Here are
38 public repositories
matching this topic...
Working with molecular structures in pandas DataFrames
Updated
Jun 14, 2020
HTML
Tensorflow + Molecules = TensorMol
Updated
Mar 30, 2018
Python
Deep Drug Coder: A TensorFlow2.0 heteroencoder for molecular encoding and de novo generation
Updated
May 31, 2020
Python
Monte Carlo and Molecular Dynamics Simulation Package
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
Updated
Jul 16, 2020
Python
Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
Updated
Jul 21, 2020
Python
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
Elements is a set of carefully crafted, composable React UI components, designed for the Allthings Platform.
Updated
Jul 30, 2020
TypeScript
A 3D first person serious game, aiming to teach player about molecules through an immersive and fun way.
Design system in use by Urbi's React Native app
Updated
Jul 22, 2020
TypeScript
Tensorflow implementation of message passing neural networks for molecules and materials
Updated
Mar 9, 2020
Python
Molecular viewer [Work in progress]
Updated
Apr 26, 2020
Python
Data and scripts relevant to an evaluation of force field methods for conformer scoring
Updated
Oct 17, 2017
Python
VIS Molecule VR Project in Unreal Engine
Browser-based WebGL molecule renderer with the goal of producing figures that are as attractive as they are practical.
Updated
Mar 17, 2018
JavaScript
Creating and analyzing interaction graphs based on boolean functions
Updated
Apr 13, 2016
Java
Just trying to wrap my mind around Rust
Updated
Jun 23, 2020
Rust
(an attempt to make a) 3D viewer for molecules
Updated
Jun 18, 2017
JavaScript
Windows 10 Stand-Alone Application: Create SVG Biology Drawings
Updated
Jan 15, 2019
JavaScript
Brailchem - Chemistry studying tool
Updated
Feb 19, 2019
Python
Personal project to implement things learnt during Computer Graphics Course
Updated
Nov 12, 2018
JavaScript
Calculate density and temperature from observed molecular lines (CO, HCN, HNC, HCO+ etc)
Updated
Apr 27, 2020
Python
Bash Script to Iterate through TIF Images in Folder and Run OSRA
Updated
Sep 29, 2017
Shell
Classification of MXenes into metals and non-metals based on physical properties
Updated
Apr 30, 2020
Jupyter Notebook
hacked code to bicluster molecules using rdkit and scikitlearn
Updated
Jan 18, 2018
Python
🧪 Repository of website for creation of 3d atom modeles
Updated
Jun 7, 2020
JavaScript
Employ Nextflow to run parallel computational chemistry tasks
Updated
Oct 25, 2019
Nextflow
MoleKing_util is a Python module written in C++ with pybind11. This module contains several useful classes for those who program python scripts aimed at theoretical chemistry.
MCUL simplifies the logic behind organizing atoms into molecules
Updated
Apr 1, 2020
JavaScript
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