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.

• SchNetPack (🥇26 · ⭐ 740 · 📈) - SchNetPack - Deep Neural Networks for Atomistic Systems. MIT
• ZnDraw (🥉17 · ⭐ 23 · 📈) - A powerful tool for visualizing, modifying, and analysing atomistic systems. EPL-2.0 MD generative JavaScript
• sGDML (🥈15 · ⭐ 140 · 💤) - sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model. MIT
• wfl (🥈15 · ⭐ 22 · 📈) - Workflow is a Python toolkit for building interatomic potential creation and atomistic simulation workflows. GPL-2.0 workflows HTC
• Pacemaker (🥈12 · ⭐ 57 · 📈) - Python package for fitting atomic cluster expansion (ACE) potentials. Custom

📉 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.

• JARVIS-Tools (🥈24 · ⭐ 280 · 📉) - JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications:.. Custom
• Ultra-Fast Force Fields (UF3) (🥈14 · ⭐ 57 · 📉) - UF3: a python library for generating ultra-fast interatomic potentials. Apache-2
• synspace (🥈12 · ⭐ 35 · 💀) - Synthesis generative model. MIT
• jarvis-tools-notebooks (🥇11 · ⭐ 50 · 📉) - A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/. NIST
• DeepErwin (🥉10 · ⭐ 45 · 📉) - DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions.. Custom

➕ Added Projects

Projects that were recently added to this best-of list.

• FAIR Chemistry datasets (🥇21 · ⭐ 700 · ➕) - Datasets OC20, OC22, etc. Formerly known as Open Catalyst Project. MIT catalysis
• fairchem (🥈19 · ⭐ 700 · ➕) - FAIR Chemistrys library of machine learning methods for chemistry. Formerly known as Open Catalyst Project (ocp). Unlicensed pre-trained rep-learn catalysis