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fairchem

fairchem by FAIR Chemistry

Quickstart

Installation & License
UMA Quick Start w/ ASE
fairchem>=2.0
UMA Demo

AI/ML Interatomic Potentials

GNNs for Chemistry
UMA Models
Common tasks
UMA tutorials
- UMA Intro Tutorial
Generative Models

Molecules & Molecular Crystals

Datasets
- OMol25
- OMC25
Pretrained models
FAQ

Heterogeneous Catalysis

OCP Leaderboard
OCP Demo (no install required!)
Datasets
Pretrained models
Examples & Tutorials
FAQ

Inorganic Materials

Datasets
- OMat24
Pretrained models
Examples & Tutorials
FAQ

MOFs for Direct Air Capture

Datasets
- Open Direct Air Capture 2023 (ODAC23)
Pretrained models
Examples & Tutorials
- Adsorption Energies

Learn More

Why model atoms for climate?
Technical presentations
Studies leveraging FAIR-Chem

fairchem documentation

API Reference

Notebook execution times

Notebook execution times

Repository
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.rst

data.oc.databases

Contents

Submodules

data.oc.databases#

Submodules#

data.oc.databases.pkls
data.oc.databases.update

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data.oc.core.solvent

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