MatterTune

Getting Started

  • Introduction
  • Motivation
  • Installation Guide

User Guide

  • Datasets
  • Fine-Tuning a Pre-trained Model
  • Model Usage Guide
  • Training Configuration Guide
  • Normalization
  • Advanced: Lightning Integration

Model Backbones

  • JMP Backbone
  • M3GNet Backbone
  • ORB Backbone
  • EquiformerV2 Backbone
  • MatterSim Backbone

Development

  • API Reference
  • Contributing to MatterTune
  • License Information
MatterTune
  • Overview: module code

All modules for which code is available

  • mattertune.backbones.eqV2.model
  • mattertune.backbones.jmp.model
  • mattertune.backbones.jmp.util
  • mattertune.backbones.m3gnet.model
  • mattertune.backbones.mace_foundation.model
  • mattertune.backbones.mattersim.model
  • mattertune.backbones.orb.model
  • mattertune.backbones.util
  • mattertune.callbacks.early_stopping
  • mattertune.callbacks.ema
  • mattertune.callbacks.model_checkpoint
  • mattertune.data.atoms_list
  • mattertune.data.base
  • mattertune.data.datamodule
  • mattertune.data.db
  • mattertune.data.json_data
  • mattertune.data.matbench
  • mattertune.data.mp
  • mattertune.data.mptraj
  • mattertune.data.omat24
  • mattertune.data.xyz
  • mattertune.finetune.base
  • mattertune.finetune.data_util
  • mattertune.finetune.loader
  • mattertune.finetune.loss
  • mattertune.finetune.lr_scheduler
  • mattertune.finetune.metrics
  • mattertune.finetune.optimizer
  • mattertune.finetune.properties
  • mattertune.loggers
  • mattertune.main
  • mattertune.normalization
  • mattertune.recipes.base
  • mattertune.recipes.ema
  • mattertune.recipes.lora
  • mattertune.recipes.noop
  • mattertune.wrappers.ase_calculator
  • mattertune.wrappers.property_predictor

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