CUDA Numerical Calculation Code

We require a CUDA program to extract features from a file generated from a molecular docking program of defined format (mol2 format) in a highly parallelized way. The code and project should be kept confidential, without details being release to any third party without permission. The code should be: • optimized for Titan X Pascal or Geforce 1080 GPUs (Pascal architecture). • use a maximum of 12 GB memory and single precision floating point unless double precision is absolutely required for accuracy. • be annotated / commented appropriately to allow the code segments to be easily understood by the end user. Further details concerning the calculations needed are in the attachment, along with input files to work with.