SMILES-Mapper

github.com/kyllev/smiles-mapper
Stale1updated 2 years ago
JavaScript
MIT

SMILES-Mapper is a small web app that allows students to easily visualize how SMILES & InChI strings are created together with other mol-block file formats such as .mol and .sdf files.

Sourced from

  • GitHubgithub.com/kyllev/smiles-mapper
  • bio.toolssmiles-mapper

Related resources

Jupyter Widgets to interact with molecular datasets.

Stale334 years ago
CSS
BSD-3-Clause

Another list focuses on Python stuff related to Chemistry.

Idle1.4K11 months ago
NOASSERTION

An object-oriented, webGL based JavaScript library for online molecular visualization.

Active1K1 week ago
Jupyter Notebook
NOASSERTION

Universal molecular toolkit that can be used for molecular fingerprinting, substructure search, and molecular visualization written in C++ package, with Java, C#, and Python wrappers.

Active4032 weeks ago
C++
Apache-2.0

Scientific Computing for Chemists with Python is a Jupyter book teaching basic python in chemistry skills, including relevant libraries, and applies them to solving chemical problems.

Active3333 weeks ago
Jupyter Notebook
NOASSERTION

A library for building, manipulating, analyzing and automatic design of molecules, including a genetic algorithm.

Idle2897 months ago
Python
MIT