Search Results for "netcdf"

Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with...

CURRENNT is a machine learning library for Recurrent Neural Networks (RNNs) which uses NVIDIA graphics cards to accelerate the computations. The library implements uni- and bidirectional Long Short-Term Memory (LSTM) architectures and supports deep networks as well as very large data sets that do not fit into main memory.