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1. overreactoverreactPublic

   ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

   Python 56 10

2. overreact-guideoverreact-guidePublic

   ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

   Jupyter Notebook 8 3

3. pnictogenpnictogenPublic

   ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages

   Python 17 4

4. orcinusorcinusPublic

   🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package

   Python 8 2

5. docker-hpcdocker-hpcPublic

   💾 Dockerfiles for software commonly used in computational chemistry research and development

   Dockerfile 9 1

6. seminarsseminarsPublic

   GEEM lab group seminars

   Python 5