molearn

molearn is a generative neural network trainable with protein conformations.

AVAILABILITY

molearn is available for download on our Github page.

For UNIX based systems, installation via conda-forge is also available.

Jupyter notebook tutorials showing how a trained molearn neural network can be used are available here.

CITATION

If you use molearn in your work, please cite:

V.K. Ramaswamy, S.C. Musson, C.G. Willcocks, M.T. Degiacomi (2021). Learning protein conformational space with convolutions and latent interpolations, Physical Review X 11