Skip to content
View rsdefever's full-sized avatar
32 followers · 1 following

Achievements

Achievement: StarstruckAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Achievements

Achievement: StarstruckAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Organizations

@mosdef-hub

Block or report rsdefever

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

Pinned Loading

  1. MaginnGroup/Cassandra MaginnGroup/Cassandra Public

    Cassandra is a Monte Carlo package to conduct atomistic simulations.

    Fortran 42 20

  2. MaginnGroup/mosdef_cassandra MaginnGroup/mosdef_cassandra Public

    MoSDeF compatible wrapper for Cassandra Monte Carlo code

    Python 11 13

  3. ele ele Public

    A lightweight package with the periodic table of the elements

    Python 12 5

  4. constrainmol constrainmol Public

    Simple bond constraint solver

    Python 7 2

  5. resp_library resp_library Public

    Store and retrieve RESP/RESP2 partial charges for small molecules

    Python 4 1

  6. GenStrIde GenStrIde Public

    A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G for full details.

    Python 17 6