Owner

Ben-Payton

2 indexed repositories · View on GitHub

ben_sci_tools
This is a repository that holds python code that helps me with science.

Python · 2 stars
get_molecule_xyz

Python · 0 stars

Beginner friendly Everything

Open All

Remove Walrus Operators Open

bug enhancement

Ben-Payton/ben_sci_tools#20 · 1 assignee · Opened Sep 23, 2025
Make a function to quickplot using sinterpolate Open

Difficulty 4/5 3-5 days Newbie friendliness 30/100

Ben-Payton/ben_sci_tools#19 · Opened Jun 13, 2025
Implement gen_conformers Open

enhancement question

Ben-Payton/get_molecule_xyz#4 · 1 comment · 1 assignee · Opened Oct 7, 2024
Implement cascsv_to_xyz Open

enhancement

Ben-Payton/get_molecule_xyz#3 · 2 assignees · Opened Oct 7, 2024
Implement cas_to_xyz Open

enhancement question

Ben-Payton/get_molecule_xyz#2 · 1 comment · 1 assignee · Opened Oct 7, 2024
Change Format of xyz_atom and xyz_molecule Open

enhancement

Ben-Payton/ben_sci_tools#10 · 1 assignee · Opened Sep 23, 2024
Add implementation to modify restart files to what is needed for reaxff Open

enhancement

Difficulty 4/5 3-5 days Newbie friendliness 25/100

Ben-Payton/ben_sci_tools#6 · Opened Sep 18, 2024
Add implementation to scrape thermo info from lammps log files Open

enhancement

Difficulty 4/5 3-5 days Newbie friendliness 25/100

Ben-Payton/ben_sci_tools#5 · Opened Sep 18, 2024
Add documentation for rxn_coord_format Open

documentation good first issue

Difficulty 2/5 1-3 hours Newbie friendliness 55/100

Ben-Payton/ben_sci_tools#3 · Opened Sep 18, 2024

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