Stars
Python tool for converting files and office documents to Markdown.
The ReactionMechanismGenerator Database Standard and Database
Sparse Learning for Chemical Reaction Mechanism Reduction
Canvas LMS MCP server — 80+ tools and 5 agent skills for students & educators. Works with Claude, Cursor, Codex, and 40+ agents. v1.1.0
Structural similarity calculations among adsorbate-surface configurations for catalyst research
This is a simple script to plot energy profile diagrams using Python and matplotlib.
A repository for drafting a schema for reaction model electronic structure data
dhomas1 / dropbear
Forked from droboports/dropbearDropbear DroboApp build scripts
PyCatKin is a class-based Python toolset for catalysis kinetics calculations. It includes modules for energy span analysis and mean-field microkinetic modelling with ideal reactor models.
AutoGPT is the vision of accessible AI for everyone, to use and to build on. Our mission is to provide the tools, so that you can focus on what matters.
molfeat - the hub for all your molecular featurizers
Hook up MIDI software and hardware and pass MIDI data between them, applying assorted filters on the way.
High accuracy RAG for answering questions from scientific documents with citations
Python code to parse a Twitter archive and output in various ways
Crossposter to post statuses between Mastodon and Twitter
Easy way to automatically mark all course announcements on Canvas as read, instead of doing them manually one by one.
Repository for proposed and ongoing enhancements to Cantera
Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application
A workflow for reproducible and open scientific articles
Tools for automated structure generation of catalyst systems
A repo for coordinating cross-group software development efforts
Generation of visualization dashboards for reaction networks in AutoMeKin, including networks, energies, molecular models and profiles, based in Bokeh