Skip to content
View simonmb's full-sized avatar
23 followers · 14 following
  • Germany

Achievements

Achievement: StarstruckAchievement: Pull SharkAchievement: Arctic Code Vault Contributor

Achievements

Achievement: StarstruckAchievement: Pull SharkAchievement: Arctic Code Vault Contributor

Block or report simonmb

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.

Maximum 250 characters. Please don't include any personal information such as legal names or email addresses. 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. fragmentation_algorithm fragmentation_algorithm Public

    Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)

    Jupyter Notebook 26 5

  2. LongPathShutil LongPathShutil Public

    Drop-in replacement for shutil with long path support for Windows

    Python

  3. TUHH-TVT/openCOSMO-RS_cpp TUHH-TVT/openCOSMO-RS_cpp Public

    C++ 18 6

  4. MoleculeResolver/molecule-resolver MoleculeResolver/molecule-resolver Public

    Automagically resolve the best structure for molecules across several databases from identifiers

    Python 36 7

  5. TUHH-TVT/openCOSMO-RS_py TUHH-TVT/openCOSMO-RS_py Public

    Python 91 21

  6. TUHH-TVT/openCOSMO-RS_conformer_pipeline TUHH-TVT/openCOSMO-RS_conformer_pipeline Public

    Python 30 6