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Software that makes life easier

This is a list of a few extensions and packages that might useful in your daily life. They range from CLI tools to Python packages. This is list is not exhaustive

CLI

The smarter cd command. It tracks your most used directories and allows you to jump to them without typing the full path. It also learns your habits and uses that to prioritize the most relevant directories.

The magic shell history. It allows you to search through your shell history and execute commands from it.

Clipboard manager with advanced features. It allows you to copy and paste multiple items and supports keyboard shortcuts to paste them.

ls alternatives

A modern replacement for ls. It is written in Rust and has a lot of useful features.

A modern replacement for ls. It is based on exa and written in Rust. In contrast to exa it is maintained by the community and has a few more features.

A command-line fuzzy finder. It allows you to search through your shell history, files, and directories. It also has a lot of useful keybindings. A vim plugin is also available.

A cat clone with syntax highlighting and Git integration. It is written in Rust and has a lot of useful features.

A grep alternative written in Rust. It is faster than grep and has a lot of useful features.

A command-line file manager. From the wiki:

If your workflow is mainly based on the command line, then a command line file manager is naturally a coherent choice. There is no need to hide it: clifm is mainly aimed to advanced, power users, programmers, and system administrators who perform most (if not all) their work in the command line. Video Tutorial

AI tools

Warning

There is a plethora of AI tools out there which promise to make your life easier. The following list is just a small selection of them. You should keep in mind that they are all based on machine learning and therefore have their limitations and biases. Use them with caution and always check the results!

Search engines

Though ChatGPT has been very popular in the beginning, other platforms have occured that are more powerful and more user-friendly. You and Perplexity are just two of them. They are AI enhanced search engines and allow you to search the web in a more efficient way. Their capabilities range from basic web searches, over chat bots to generating images.

Academic search engines

In addition to those generic search engines, there are also academic search engines that are more specialized. SciSpace, for exmple, is a search engine for scientific papers and review articles enhanced with AI. It provides AI generated summaries and the chat function allows you to ask questions about the paper.

QM software in Python

A curated list of awesome Python frameworks, libraries, software and resources related to Chemistry.

The Atomic Simulation Environment is a very useful tool for computational chemistry. It allows you to write scripts to set up and run calculations. It also provides an infrastructure to analyze the results and store them in a database.

A Python library for materials analysis but also useful for other applications. Interfaces with many QM codes such as Gaussian, but also with useful tools such as OpenBabel.

A chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

A collection of cheminformatics and machine-learning software written in C++ and Python. It is used to generate 2D and 3D molecular structures, fingerprints, and other useful data.

Ensemble of automated QM workflows that can be run through jupyter notebooks, command lines and yaml file. Youtube tutorials available.