Md Python Packages

jarvis-tools

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ

md-dead-link-check

A lightweight and fast tool to help you keep your Markdown files free of broken links.

markdown-to-data

Convert markdown and its elements (tables, lists, code, etc.) into structured, easily processable data formats like lists and hierarchical dictionaries (or JSON), with support for parsing back to markdown.

markdown-query

A jq-like Markdown query language for command-line processing

reacnetgenerator

an automatic reaction network generator for reactive molecular dynamics simulation

sphinx-jekyll-builder

sphinx builder that outputs jekyll compatible markdown files with frontmatter

confluence-md

Markdown to Confluence - upload any .md files to your Confluence cloud page

rdx-parser

Official parser and toolchain for RDX (Reactive Document eXpressions) — a strictly typed, declarative document format built on CommonMark.

mkdocs-simple-blog

Blog Template for Mkdocs

mdify-cli

Convert PDFs and document images into structured Markdown for LLM workflows

imdclient

Streaming analysis from running MD simulations.

yaml-to-markdown

A Python utility to take a JSON / YAML file or a python dict / list and create a Markdown file.

pacs-q

PaCS-Q is a Python toolkit designed to assist with Parallel Cascade Selection simulations (PaCS) for studying protein structural transitions in MD and QM/MM MD level.

mddatasetbuilder

A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.

pervane

Plain text file based note taking and knowledge base building tool, markdown editor, simple browser IDE.

markdown-fenced-code-tabs

Generates tabs for consecutive markdown code blocks

polyply

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates

pr2md

Pull Request Markdown Generator

dftfit

Ab-Initio Molecular Dynamics Potential Development

pyxmolpp2

Processing and analysis of MD trajectories

basicrta

A package to extract binding kinetics from molecular dynamics simulations

amber-mlips

MLIP wrapper for AMBER QM/MM (UMA, ORB, MACE, AIMNet2)

md2book

Convert markdown files to beautiful books using a simple configuration file

markdown-tool

Parse markdown article, download images and replace images URL's with local paths