latest
Installation
Stable release
From sources
Usage
Contributing
Types of Contributions
Report Bugs
Fix Bugs
Implement Features
Write Documentation
Submit Feedback
Get Started!
Pull Request Guidelines
Tips
Credits
Development Lead
Contributors
History
0.0.1 (2018-10-3)
molecules
molecules package
Subpackages
molecules.data package
molecules.ml package
molecules.sim package
molecules.utils package
Module contents
molecules.data.dataloaders package
Submodules
molecules.data.dataloaders.dataset module
molecules.data.dataloaders.fspeptide module
molecules.data.dataloaders.onefme module
molecules.data.dataloaders.utils module
Module contents
molecules.data package
Subpackages
molecules.data.dataloaders package
Submodules
molecules.data.dataloaders.dataset module
molecules.data.dataloaders.fspeptide module
molecules.data.dataloaders.onefme module
molecules.data.dataloaders.utils module
Module contents
Module contents
molecules.ml.rl.models package
Submodules
molecules.ml.rl.models.fc_policy module
Module contents
molecules.ml.rl package
Subpackages
molecules.ml.rl.models package
Submodules
molecules.ml.rl.models.fc_policy module
Module contents
Submodules
molecules.ml.rl.reinforce module
Module contents
molecules.ml package
Subpackages
molecules.ml.rl package
Subpackages
Submodules
molecules.ml.rl.reinforce module
Module contents
molecules.ml.supervised package
Module contents
molecules.ml.unsupervised package
Subpackages
Submodules
molecules.ml.unsupervised.callbacks module
molecules.ml.unsupervised.vae module
Module contents
Module contents
molecules.ml.supervised package
Module contents
molecules.ml.unsupervised.conv_vae package
Submodules
molecules.ml.unsupervised.conv_vae.decoder module
molecules.ml.unsupervised.conv_vae.encoder module
Module contents
molecules.ml.unsupervised.embeddings package
Module contents
molecules.ml.unsupervised.model_weights package
Module contents
molecules.ml.unsupervised package
Subpackages
molecules.ml.unsupervised.conv_vae package
Submodules
molecules.ml.unsupervised.conv_vae.decoder module
molecules.ml.unsupervised.conv_vae.encoder module
Module contents
molecules.ml.unsupervised.embeddings package
Module contents
molecules.ml.unsupervised.model_weights package
Module contents
Submodules
molecules.ml.unsupervised.callbacks module
molecules.ml.unsupervised.vae module
Module contents
molecules package
Subpackages
molecules.data package
Subpackages
Module contents
molecules.ml package
Subpackages
Module contents
molecules.sim package
Subpackages
Submodules
molecules.sim.contact_maps module
molecules.sim.openmm_reporter module
molecules.sim.openmm_simulation module
Module contents
molecules.utils package
Submodules
molecules.utils.matrix_op module
molecules.utils.read_file module
Module contents
Module contents
molecules.sim.analysis package
Submodules
molecules.sim.analysis.contact_maps module
Module contents
molecules.sim package
Subpackages
molecules.sim.analysis package
Submodules
molecules.sim.analysis.contact_maps module
Module contents
molecules.sim.simulation package
Submodules
molecules.sim.simulation.openmm_simulation module
Module contents
Submodules
molecules.sim.contact_maps module
molecules.sim.openmm_reporter module
molecules.sim.openmm_simulation module
Module contents
molecules.sim.simulation package
Submodules
molecules.sim.simulation.openmm_simulation module
Module contents
molecules.utils package
Submodules
molecules.utils.matrix_op module
molecules.utils.read_file module
Module contents
molecules
Docs
»
Usage
Edit on GitHub
Usage
ΒΆ
To use molecules in a project:
import molecules
Read the Docs
v: latest
Versions
latest
Downloads
pdf
htmlzip
epub
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.