awesome-chemistry

A curated list of chemistry libraries and software. Please feel free to contribute!
https://github.com/beingzhutao/awesome-chemistry

Last synced: 8 days ago
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Python for Science GitHub Repositories
- Awesome Python - A curated list of awesome Python frameworks, libraries, software and resources.
- Awesome C++ Chemistry - Chemistry, Quantum Chemistry, Solid-State Chemistry/Physics, Geochemistry, Biochemistry.
- Awesome R - A curated list of awesome R packages, frameworks and software.
- Python Resources - A curated list of python frameworks, libraries, software and resources, all particularly useful for scientific Python users.
- The Algorithms - Python - All Algorithms implemented in Python.
- Homemade Machine Learning - Python examples of popular machine learning algorithms with interactive Jupyter demos and math being explained.
- Python-for-Scientists - A curated list of recommended Python frameworks, libraries, software and resources, all particularly useful for scientific Python users.
- Best of Python - A ranked list of awesome Python open-source libraries and tools. Updated weekly.
- Python Resources - A curated list of python frameworks, libraries, software and resources, all particularly useful for scientific Python users.
Awesome Chemistry Repositories in Github
- Awesome Cheminformatics - A curated list of Cheminformatics libraries and software.
- Awesome Chemistry - Get Your Paper Published - A curated of guides to publishing
- Awesome Python Chemistry - A curated list of awesome Python frameworks, libraries, software and resources related to Chemistry.
- Awesome Materials Informatics - A curated list of known efforts in materials informatics.
- Awesome Drug Pair Scoring - Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring."
- Awesome data in (experimental) chemistry and materials science - A curated list of known efforts in collecting and/or curating of chemical/materials data.
- Quantum Chemistry Dev Kit - Docker box for Quantum chem tools with a curated list of awesome frameworks, libraries, software and resources.
- Awesome List of Open Science Resources - Getting your data.
- Awesome-Periodic-Table - An awesome periodic table and chemistry calculator
- Awesome Quantum Chemistry - Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
- Awesome Structural BioInformatics - A curated list of awesome structural bioinformatics frameworks, libraries, software and resources.
- Awesome QC Courses - Quantum Chemistry course resources available on github and other platforms
Other Chemistry Websites
- National Library of Medicine nlm.nih.gov - National Center for Biotechnology Information
The Top Visited Chemistry Websites
- Rcsb.Org - Protein data bank.
- Acs.Org - The American Chemical Society is a scientific society based in the United States that supports scientific inquiry in the field of chemistry.
- Rsc.Org - Advancing excellence, connecting chemical scientists and shaping the future of the chemical sciences for the benefit of humanity.
- Webqc.Org - Chemical portal: a place for chemistry enthusiasts and professionals alike. Chemistry tools, periodic table, unit converters and more.
- Chemguide.Co.Uk - Main menu of a site aimed to help advanced level chemistry students to understand chemistry
- Cas.Org - reliable access to chemical and scientific information from databases covering topics such as chemistry, engineering, patents, medicine, and regulatory data.
- Sciencenotes.Org - Learn science and do science.
- Organic-Chemistry.Org - The Organic Chemistry Portal offers an overview of recent topics, interesting reactions and information on important chemicals for organic chemists.
- Acs.Org - The American Chemical Society is a scientific society based in the United States that supports scientific inquiry in the field of chemistry.
- Cas.Org - reliable access to chemical and scientific information from databases covering topics such as chemistry, engineering, patents, medicine, and regulatory data.
- Organic-Chemistry.Org - The Organic Chemistry Portal offers an overview of recent topics, interesting reactions and information on important chemicals for organic chemists.
Protein Data Bank(PDB)
- EMBL's European Bioinformatics Institute (ebi.ac.uk) - Unleashing the potenstial of big data in biology
- Protein Data Bank in Europe (ebi.ac.uk) - Bringing Structure to Biology
- Orientations of proteins in membranes (umich.edu) - All proteins in OPM (6568 entries)
- The Worldwide Protein Data Bank (wwpdb.org) - The Worldwide PDB (wwPDB) organization manages the PDB archive and ensures that the PDB is freely and publicly available to the global community.
- EncoMPASS (nih.gov) - Encyclopedia of Membrane Proteins Analyzed by Structure and Symmetry
- 3D View (rcsb.org) - 3D View Protein Data.
- Orientations of proteins in membranes (umich.edu) - All proteins in OPM (6568 entries)
NMR spectrum data libraries
- nmrshiftdb2 - nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra.
- BMRB - BMRB makes bio-NMR data FAIR.
- SDBS Spectral Database for Organic Compounds - Japan SDBS Compounds and Spectral Search
- Wiley Free Spectral Database - Free, fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and Mass Spectra.
- NMRium - NMRium handles advanced NMR spectra processing in the browser.
- NMReDATA initiative - GENERATE, STORE AND SHARE THE DATA EXTRACTED FROM SET OF NMR SPECTRA ASSOCIATED TO A COMPOUND.
- NMR Natural Product Data - The Natural Product Magnetic Resonance Database Project
- SDBS Spectral Database for Organic Compounds - Japan SDBS Compounds and Spectral Search
- GitHubNMRium - React component to display and process nuclear magnetic resonance (NMR) spectra.
- SDBS Spectral Database for Organic Compounds - Japan SDBS Compounds and Spectral Search
[Awesome Chemistry](https://github.com/zhutaosheng/awesome-chemistry) [![Awesome](https://cdn.rawgit.com/sindresorhus/awesome/d7305f38d29fed78fa85652e3a63e154dd8e8829/media/badge.svg)](https://github.com/sindresorhus/awesome)
- online
Wikipedia Chemistry
- Chemistry
- Inorganic chemistry
- Organic chemistry
- Physical chemistry
- Analytical chemistry
- Biochemistry
- Theoretical chemistry
- Quantum chemistry
- Sci-Hub 1 - Hub 2](https://sci-hub.se/), [Sci-Hub 3](https://sci-hub.st/), [Sci-Hub 4](https://sci-hub.hkvisa.net/)
Periodic table
- Ptable.Com - best periodic table - Interactive periodic table with dynamic layouts showing names, electrons, oxidation, trend visualization, orbitals, isotopes, and compound search. Full descriptions from write-up sources.
- Periodictable.Com - The definitive online periodic table reference site including technical data, and photographs and descriptions of thousands of samples of the chemical.
- periodic table with a video on every element - A good UK based one is www.chemguide.co.uk The University of Nottingham have a periodic table with a video on every element.
- Printable Periodic Table of Elements - [Periodic Table (Color) (.PDF)](https://www.vertex42.com/Files/pdfs/2/periodic-table_color.pdf). print a Periodic Table with Names, Atomic mass, Charges, and other properties.
- Elements Database - There are better Periodic Tables if you want atomic information, but this one gives you a mass of general information about each element.
- periodic table with a video on every element - A good UK based one is www.chemguide.co.uk The University of Nottingham have a periodic table with a video on every element.
- Elements Database - There are better Periodic Tables if you want atomic information, but this one gives you a mass of general information about each element.
Online View Textbook
- chem.libretexts.org - hub of the Chem LibreTexts project
- General Chemistry - General chemistry courses often taught at the high school and introductory.
- Organic Chemistry - Organic chemistry studies the structure, properties and reactions of organic compounds.
- Inorganic Chemistry - Inorganic chemistry deals with the synthesis and behavior of inorganic and organometallic compounds and covers all chemical compounds except the myriad organic compounds (carbon-based compounds).
- Analytical Chemistry - tools and methods to measure physical properties of substances.
- Biological Chemistry - tools of chemistry and synthesis to understand biology and disease pathways at the molecular leve
- Biophysical Chemistry - biophysics for chemists.
- Open textbooks Library
- Chemistry Textbooks - Open textbooks
- Virtual Textbook of Organic Chemistry
- The Video Textbook of General Chemistry - This project was preformed to supply Libretext authors with videos on General Chemistry topics
Practice Chemistry Tests
- 20 Practice Chemistry Tests - This collection of chemistry test questions is grouped according to subject.
- Chemistry Quizzes
- Chemistry worksheets and online exercises
- Chemistry worksheets and online exercises

Programming Languages

TypeScript 2 Python 2 Dockerfile 1 Jupyter Notebook 1 R 1

ecosyste.ms

Data

Tools

Indexes

Applications

Experiments

Awesome

awesome-chemistry

Python for Science GitHub Repositories

Awesome Chemistry Repositories in Github

Other Chemistry Websites

The Top Visited Chemistry Websites

Protein Data Bank(PDB)

NMR spectrum data libraries

[Awesome Chemistry](https://github.com/zhutaosheng/awesome-chemistry) [![Awesome](https://cdn.rawgit.com/sindresorhus/awesome/d7305f38d29fed78fa85652e3a63e154dd8e8829/media/badge.svg)](https://github.com/sindresorhus/awesome)

Wikipedia Chemistry

Periodic table

Online View Textbook

Practice Chemistry Tests