Update: 2025.06.26

📈 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 · ⭐ 89 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• DeepFlame (🥈18 · ⭐ 170 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0
• deepmodeling_sphinx (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0
• Uni-Fold (🥉7 · ⭐ 92 · 💤) - 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.

• fpop (🥉8 · ⭐ 2 · 💤) - LGPL-3.0

Update: 2025.06.19

📈 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.

• dpdata (🥇23 · ⭐ 210 · 📈) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0
• reacnetgenerator (🥈20 · ⭐ 88 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• args (🥉11 · ⭐ 2 · 📈) - DeepModeling dargs arguments generation. LGPL-3.0
• Blog (🥉9 · ⭐ 2 · 📈) - DeepModeling Blog. LGPL-3.0
• dpti (🥉8 · ⭐ 29 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

Update: 2025.06.12

📈 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 · ⭐ 1.7K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• DeepFlame (🥈17 · ⭐ 170 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. 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.

• dpdata (🥇22 · ⭐ 210 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0
• reacnetgenerator (🥈19 · ⭐ 88 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• DeePTB (🥈16 · ⭐ 77 · 📉) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0
• rid-kit (🥉11 · ⭐ 48 · 📉) - Reinforced dynamics. LGPL-3.0
• dpti (🥉7 · ⭐ 28 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

Update: 2025.05.29

📈 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 (🥈20 · ⭐ 87 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• DeePTB (🥈17 · ⭐ 75 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0
• JAX-FEM (🥈15 · ⭐ 400 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0
• fealpy (🥉12 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. Unlicensed
• community (🥉9 · ⭐ 88 · 📈) - 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.

• dpdata (🥇23 · ⭐ 210 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0
• rid-kit (🥉12 · ⭐ 48 · 📉) - Reinforced dynamics. LGPL-3.0

Update: 2025.04.24

📉 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.

• dpti (🥉9 · ⭐ 26 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0
• Blog (🥉7 · ⭐ 2 · 📉) - DeepModeling Blog. LGPL-3.0

Update: 2025.04.17

📈 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.

• JAX-FEM (🥈14 · ⭐ 370 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0
• GPUMD (🥉12 · ⭐ 6 · 📈) - Graphics Processing Units Molecular Dynamics. GPL-3.0
• dpti (🥉10 · ⭐ 26 · 📈) - 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.

• reacnetgenerator (🥈19 · ⭐ 86 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• args (🥉10 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0
• AIS-Square (🥉8 · ⭐ 13 · 📉) - LGPL-3.0

Update: 2025.04.10

📈 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 (🥈16 · ⭐ 38 · 📈) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• LibRI (🥉3 · ⭐ 6 · 📈) - 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.

• reacnetgenerator (🥈20 · ⭐ 86 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• DeepFlame (🥈15 · ⭐ 160 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0
• GPUMD (🥉11 · ⭐ 6 · 📉) - Graphics Processing Units Molecular Dynamics. GPL-3.0

Update: 2025.04.03

📈 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.

• AIS-Square (🥉9 · ⭐ 13 · 📈) - LGPL-3.0
• tutorials (🥉7 · ⭐ 14 · 📈) - Tutorials for DeepModeling projects. 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.

• DPGEN2 (🥈15 · ⭐ 37 · 📉) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• Uni-Fold (🥉6 · ⭐ 92 · 💤) - Apache-2

Update: 2025.03.27

📈 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.

• DMFF (🥈14 · ⭐ 170 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. 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 (🥇23 · ⭐ 330 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• dpdispatcher (🥈21 · ⭐ 49 · 📉) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0
• deepmodeling_sphinx (🥉12 · ⭐ 3 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0

Update: 2025.03.20

📈 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 (🥈16 · ⭐ 36 · 📈) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• DeePTB (🥈15 · ⭐ 67 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. 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.

• Blog (🥉8 · ⭐ 1 · 📉) - DeepModeling Blog. LGPL-3.0
• dflow-op-cutter (🥉-1 · ⭐ 1 · 💤) - Unlicensed