Skip to content
View humeniuka's full-sized avatar

Block or report humeniuka

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

Popular repositories Loading

  1. DFTBaby DFTBaby Public

    software package for tight-binding DFT calculations on ground and excited states of molecules

    Python 9 7

  2. becke_multicenter_integration becke_multicenter_integration Public

    Numerical molecular integrals on Becke's multicenter grids

    Python 5

  3. polarization_integrals polarization_integrals Public

    Efficient C++ implementation of the polarization integrals according to Schwerdtfeger et al. Phys. Rev. A 37, 2834-2842

    C++ 4 1

  4. sGDML_dataset_generation sGDML_dataset_generation Public

    Parallelize generation of training data for sGDML on a SLURM queue

    Python 1

  5. lewis_structure_finder lewis_structure_finder Public

    Lewis structures are determined for a molecule based only on the elements and atom connectivities

    Python 1

  6. NeuralToyNetwork NeuralToyNetwork Public

    neural network for recognizing handwritten digits, toy project

    Python