Update: 2024.03.07

📈 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.

• DeepFlame (🥈17 · ⭐ 120 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0
• AIS-Square (🥉6 · ⭐ 9 · 📈) - LGPL-3.0

📉 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.

• DeePKS-kit (🥉9 · ⭐ 97 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0
• dpti (🥉8 · ⭐ 18 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0
• DeepH-pack (🥉3 · ⭐ 10 · 📉) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0

➕ Added Projects

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

• reacnetgenerator (🥈21 · ⭐ 54 · ➕) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0