latest-changes.md

📈 Trending Up

Projects that have a higher project-quality score compared to the last update. There might be a variety of reasons, such as increased downloads or code activity.

• DeePMD-kit (🥇30 · ⭐ 1.9K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 MD workflows C++
• Metatensor (🥈24 · ⭐ 98 · 📈) - Self-describing sparse tensor data format for atomistic machine learning and beyond. BSD-3 ML-IAP MD Rust C-lang C++ Python
• ElementEmbeddings (🥇17 · ⭐ 51 · 📈) - Python package to interact with high-dimensional representations of the chemical elements. MIT XAI USL viz
• MatPES (🥈14 · ⭐ 53 · 📈) - A foundational potential energy dataset for materials. BSD-3 UIP ML-IAP
• MEGAN: Multi Explanation Graph Attention Student (🥈8 · ⭐ 12 · 📈) - Minimal implementation of graph attention student model architecture. MIT rep-learn

📉 Trending Down

Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity.

• MatGL (Materials Graph Library) (🥇27 · ⭐ 540 · 📉) - Graph deep learning library for materials. BSD-3 ML-IAP pretrained multifidelity
• dpdata (🥇27 · ⭐ 240 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0
• MACE-FOUNDATION models (🥈22 · ⭐ 1.1K · 📉) - MACE foundation models (MP, OMAT, mh-1). MIT ML-IAP pretrained rep-learn MD
• MatBench Discovery (🥇20 · ⭐ 220 · 📉) - An evaluation framework for machine learning models simulating high-throughput materials discovery. MIT datasets benchmarking model-repository
• ZnDraw (🥉20 · ⭐ 49 · 📉) - A powerful tool for visualizing, modifying, and analysing atomistic systems. EPL-2.0 MD generative JavaScript