ALF

Getting Started

  • What Is ALF
  • Installation
  • Quickstart

User Guide

  • Configuration
  • Units And Property Conversion
  • Builders
  • Samplers
  • ML Interfaces
  • QM Interfaces
  • Parsl And HPC Execution

Examples

  • Simple Water
  • Seeded Active Learning
  • Fine-Tuning Existing Models
  • Molten Salts
  • Ionic Liquids
  • Periodic Solids (UO2)
  • Reactive Sampling

API Documentation

  • alframework
  • License
ALF
  • Overview: module code

All modules for which code is available

  • alframework.builders.builders
  • alframework.builders.moltensalt_builder
  • alframework.ml_interfaces.hippynn_interface
  • alframework.ml_interfaces.neurochem_interface
  • alframework.qm_interfaces.orca5_interface
  • alframework.qm_interfaces.qchem_DFT_interface
  • alframework.qm_interfaces.vaspase_interface
  • alframework.samplers.ASE_ensemble_constructor
  • alframework.samplers.ml_driven_md_sampling
  • alframework.samplers.mlmd_sampling
  • alframework.samplers.reactive_sampler
  • alframework.tools.molecules_class
  • alframework.tools.plotting
  • alframework.tools.pyanitools
  • alframework.tools.tools

© Copyright 2023, ALF Team.

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