pfd-kit

The Basics

  • Overview
  • Quickstart

User guide

  • Command guide
  • Input Script Guide
  • Arguments of the input script
  • Examples

Developer guide

  • API documentation
pfd-kit
  • Overview: module code

All modules for which code is available

  • pfd.entrypoint.args
  • pfd.entrypoint.common
  • pfd.entrypoint.download
  • pfd.entrypoint.main
  • pfd.entrypoint.submit
  • pfd.exploration.converge.check_conv
  • pfd.exploration.converge.conf_filter_conv
  • pfd.exploration.converge.energy_conv
  • pfd.exploration.converge.energy_conv_filter
  • pfd.exploration.converge.force_conv
  • pfd.exploration.inference.eval_model
  • pfd.exploration.inference.util
  • pfd.exploration.render.traj_render
  • pfd.exploration.render.traj_render_lammps
  • pfd.exploration.scheduler.sheduler
  • pfd.exploration.selector.conf_filter
  • pfd.exploration.selector.conf_selector
  • pfd.exploration.selector.conf_selector_frame
  • pfd.exploration.selector.distance_conf_filter
  • pfd.exploration.selector.energy_select
  • pfd.exploration.task.conf_sampling_task_group
  • pfd.exploration.task.stage
  • pfd.exploration.task.task
  • pfd.exploration.task.task_group
  • pfd.flow.data_gen
  • pfd.op.collect
  • pfd.op.model_test
  • pfd.op.select_confs
  • pfd.op.stage
  • pfd.utils.artifact_uri
  • pfd.utils.binary_file_input
  • pfd.utils.bohrium_config
  • pfd.utils.chdir
  • pfd.utils.dflow_config
  • pfd.utils.dflow_query
  • pfd.utils.download_pfd_artifacts
  • pfd.utils.obj_artifact
  • pfd.utils.run_command
  • pfd.utils.step_config

© Copyright 2024, Ruoyu Wang, Hongyu Wu.

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