13 open-source projects similar to capoe/benchml, ranked by shared indexed features. Tags may describe platforms or build tools rather than the same primary purpose. Check each project’s use case, license, and deployment requirements before treating it as a replacement.
Differentiable version of Permutationally Invariant Polynomial (PIP) models in JAX and Rust.
GlassPy is a Python module for scientists working with glass materials.
ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. Please check the ChemML website for more information.
This repository contains the Python (3.8+) package implementing the Material Optimal Descriptor Network (MODNet). It is a supervised machine learning framework for learning material properties from either the composition or crystal structure. The framework is well suited for limited datasets and…
Version SISSO.3.5, August, 2024. This code is licensed under the Apache License, Version 2.0
libfp is a library for calculating crystalline fingerprints and measuring similarities of materials (e.g., crystals, clusters, and molecules). The library is written in C with a Python interface.
DScribe is a Python package for transforming atomic structures into fixed-size numerical fingerprints. These fingerprints are often called "descriptors" and they can be used in various tasks, including machine learning, visualization, similarity analysis, etc.
The Element Embeddings package provides high-level tools for analysing elemental and ionic species embeddings data. This primarily involves visualising the correlation between embedding schemes using different statistical measures.
Perovskite Dynamics Analysis (PDynA) is a Python package for analysis of perovskite structural dynamics.