Update: 2024.07.25

📈 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.

• dflow (🥈19 · ⭐ 58 · 📈) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0
• APEX (🥈14 · ⭐ 19 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• dpti (🥉8 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0
• Uni-Fold (🥉7 · ⭐ 90 · 💤) - Apache-2

📉 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.

• reacnetgenerator (🥈20 · ⭐ 63 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• fealpy (🥉7 · ⭐ 3 · 📉) - Finite Element Analysis Library in Python. Unlicensed

Update: 2024.07.18

📈 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.

• reacnetgenerator (🥈21 · ⭐ 62 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• dargs (🥈20 · ⭐ 5 · 📈) - Argument processing for the deep modeling project. LGPL-3.0
• DeePDih (🥉5 · ⭐ 3 · 🐣) - Deep Potential driven molecular dihedral scan toolkit. MIT

📉 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.

• APEX (🥈13 · ⭐ 19 · 📉) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• dpti (🥉7 · ⭐ 19 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0
• Blog (🥉7 · ⭐ 1 · 📉) - DeepModeling Blog. LGPL-3.0

Update: 2024.07.11

📈 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.

• DP-GEN (🥇22 · ⭐ 290 · 📈) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• DeePTB (🥈17 · ⭐ 34 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• DPGEN2 (🥈17 · ⭐ 31 · 📈) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• DeePKS-kit (🥉10 · ⭐ 96 · 📈) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0
• docs (🥉6 · ⭐ 3 · 📈) - The home page of DeepModeling documentation. 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.

• DeePMD-kit (🥇28 · ⭐ 1.4K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• APEX (🥈14 · ⭐ 19 · 📉) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• DP-GUI (🥈14 · ⭐ 7 · 📉) - A web-based GUI for user inputs. LGPL-3.0
• args (🥉10 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0
• DeePDih (🥉4 · ⭐ 3 · 🐣) - Deep Potential driven molecular dihedral scan toolkit. MIT

Update: 2024.07.04

📈 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 (🥇29 · ⭐ 1.4K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• DPGEN2 (🥈16 · ⭐ 30 · 📈) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• community (🥉7 · ⭐ 78 · 📈) - DeepModeling community content. Unlicensed

📉 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.

• DP-GEN (🥈21 · ⭐ 280 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• DeepFlame (🥈15 · ⭐ 130 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0
• DeePKS-kit (🥉9 · ⭐ 96 · 📉) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0
• fealpy (🥉9 · ⭐ 3 · 📉) - Finite Element Analysis Library in Python. Unlicensed
• dpti (🥉8 · ⭐ 19 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

➕ Added Projects

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

• GPUMD (🥉10 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0
• DeePDih (🥉6 · ⭐ 3 · 🐣) - Deep Potential driven molecular dihedral scan toolkit. MIT

Update: 2024.06.27

📈 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.

• ABACUS (🥇25 · ⭐ 150 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0
• dargs (🥈19 · ⭐ 5 · 📈) - Argument processing for the deep modeling project. LGPL-3.0
• JAX-FEM (🥈14 · ⭐ 190 · 📈) - Differentiable Finite Element Method with JAX. GPL-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.

• deepmodeling_sphinx (🥉12 · ⭐ 2 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0
• community (🥉6 · ⭐ 77 · 📉) - DeepModeling community content. Unlicensed

Update: 2024.06.20

📈 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.

• DPGEN2 (🥈15 · ⭐ 29 · 📈) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• Blog (🥉8 · ⭐ 1 · 📈) - DeepModeling Blog. LGPL-3.0
• community (🥉7 · ⭐ 77 · 📈) - DeepModeling community content. Unlicensed

📉 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.

• ABACUS (🥈21 · ⭐ 150 · 📉) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0
• fealpy (🥉10 · ⭐ 3 · 📉) - Finite Element Analysis Library in Python. Unlicensed

Update: 2024.06.13

📈 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.

• dargs (🥈18 · ⭐ 5 · 📈) - Argument processing for the deep modeling project. LGPL-3.0
• dpti (🥉9 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. 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.

• DP-GEN (🥇22 · ⭐ 280 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• rid-kit (🥈14 · ⭐ 42 · 📉) - Reinforced dynamics. LGPL-3.0
• args (🥉11 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0
• Blog (🥉7 · ⭐ 1 · 📉) - DeepModeling Blog. LGPL-3.0
• community (🥉6 · ⭐ 77 · 📉) - DeepModeling community content. Unlicensed

Update: 2024.06.06

📈 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.

• fealpy (🥉11 · ⭐ 3 · 📈) - Finite Element Analysis Library in Python. Unlicensed
• fpop (🥉9 · ⭐ 1 · 📈) - 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.

• DeePTB (🥈16 · ⭐ 32 · 📉) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• Uni-Fold (🥉7 · ⭐ 90 · 💤) - Apache-2
• docs (🥉6 · ⭐ 3 · 📉) - The home page of DeepModeling documentation. LGPL-3.0

Update: 2024.05.30

📈 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.

• fpop (🥉8 · ⭐ 1 · 📈) - 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.

• DPGEN2 (🥈14 · ⭐ 29 · 📉) - 2nd generation of the Deep Potential GENerator. LGPL-3.0

Update: 2024.05.23

📉 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.

• DP-GEN (🥇23 · ⭐ 280 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• reacnetgenerator (🥈20 · ⭐ 61 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• JAX-FEM (🥈13 · ⭐ 160 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0
• fealpy (🥉10 · ⭐ 2 · 📉) - Finite Element Analysis Library in Python. Unlicensed
• dpti (🥉8 · ⭐ 19 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0