RiD-kit
latest
  • Use Rid-kit with Local k8s
  • Prepare files for simulations
  • Configure simulations
  • Configure machine resources
  • Download files from simulation
  • Configure mcmc dimension reduction
  • Installation of environment on Slurm
  • Installation with DeepMD potential support
  • Trouble Shooting
  • Rid API
RiD-kit
  • Overview: module code

All modules for which code is available

  • rid.common.gromacs.command
  • rid.common.gromacs.mdp
  • rid.common.gromacs.trjconv
  • rid.common.lammps.command
  • rid.common.mol
  • rid.common.mol_dpdata
  • rid.common.plumed.check_plumed
  • rid.common.plumed.make_plumed
  • rid.common.sampler.command
  • rid.entrypoint.cli
  • rid.entrypoint.download
  • rid.entrypoint.server
  • rid.flow.loop
  • rid.op.adjust_trust_level
  • rid.op.label_stats
  • rid.op.mcmc_plot
  • rid.op.prep_data
  • rid.op.prep_exploration
  • rid.op.prep_label
  • rid.op.prep_rid
  • rid.op.prep_select
  • rid.op.recorder
  • rid.select.cluster
  • rid.superop.blocks
  • rid.superop.data
  • rid.superop.exploration
  • rid.superop.label
  • rid.superop.mcmc
  • rid.superop.selector
  • rid.task.builder
  • rid.task.task
  • rid.utils.command
  • rid.utils.files
  • rid.utils.format
  • rid.utils.path
  • rid.utils.set_config

© Copyright 2022, Yanze Wang, Jiahao Fan. Revision 9bb50584.

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