Skip to content
View mrat1618's full-sized avatar
9 followers · 43 following

Organizations

@WMCSameeraGroup

Block or report mrat1618

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
mrat1618/README.md

Hi there 👋

I am a computational chemist by training and a Python enthusiast from Sydney. I'm interested in force field development, computer-aided drug development and scientific software development.

Pinned Loading

  1. oniom-vmd-visualisation Public

    Visualise Gaussian ONIOM inputs in VMD

    Python 2

  2. WMCSameeraGroup/pyqmmm Public

    Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.

    Python 6 2

10 contributions in the last year

Contribution Graph
Day of Week April May June July August September October November December January February March
Sunday
Monday
Tuesday
Wednesday
Thursday
Friday
Saturday
Learn how we count contributions
Less
No contributions.
Low contributions.
Medium-low contributions.
Medium-high contributions.
High contributions.
More

Contribution activity

April 2025

mrat1618 has no activity yet for this period.
Loading