Update: 2024.03.21

📈 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 (🥇23 · ⭐ 270 · 📈) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• deepmodeling_sphinx (🥈12 · ⭐ 2 · 📈) - Sphinx extension for DeepModeling projects. 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 (🥈13 · ⭐ 25 · 📉) - 2nd generation of the Deep Potential GENerator. LGPL-3.0

Update: 2024.03.14

📈 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.

• DeePTB (🥈13 · ⭐ 26 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• JAX-FEM (🥈12 · ⭐ 110 · 🐣) - Differentiable Finite Element Method with JAX. GPL-3.0
• APEX (🥉11 · ⭐ 11 · 📈) - APEX: Alloy Properties EXplorer using simulations. 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.

• DMFF (🥈13 · ⭐ 130 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0

➕ Added Projects

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

• tbplas (🥉6 · ⭐ 2 · 🐣) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed

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

Update: 2024.02.29

📈 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.

• JAX-FEM (🥉10 · ⭐ 90 · 🐣) - Differentiable Finite Element Method with JAX. GPL-3.0
• fpop (🥉7 · ⭐ 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.

• args (🥉9 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0
• AIS-Square (🥉5 · ⭐ 8 · 📉) - LGPL-3.0

Update: 2024.02.22

📈 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 (🥈14 · ⭐ 25 · 📈) - 2nd generation of the Deep Potential GENerator. 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.

• community (🥉6 · ⭐ 74 · 📉) - DeepModeling community content. Unlicensed

Update: 2024.02.15

📉 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.

• AIS-Square (🥉6 · ⭐ 8 · 📉) - LGPL-3.0
• fealpy (🥉6 · ⭐ 2 · 📉) - Finite Element Analysis Library in Python. Unlicensed

Update: 2024.02.08

📈 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 (🥈18 · ⭐ 47 · 📈) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0
• DPGEN2 (🥈13 · ⭐ 24 · 📈) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• rid-kit (🥈12 · ⭐ 41 · 📈) - Reinforced dynamics. 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.

• fealpy (🥉7 · ⭐ 2 · 📉) - Finite Element Analysis Library in Python. Unlicensed
• Blog (🥉7 · ⭐ 1 · 📉) - DeepModeling Blog. LGPL-3.0

Update: 2024.02.01

📈 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-GUI (🥈16 · ⭐ 7 · 📈) - A web-based GUI for user inputs. LGPL-3.0
• dargs (🥈16 · ⭐ 5 · 📈) - Argument processing for the deep modeling project. 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.

• rid-kit (🥈11 · ⭐ 41 · 📉) - Reinforced dynamics. LGPL-3.0
• deepmodeling_sphinx (🥈11 · ⭐ 2 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0
• APEX (🥉10 · ⭐ 10 · 📉) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• fealpy (🥉8 · ⭐ 2 · 📉) - Finite Element Analysis Library in Python. Unlicensed
• tutorials (🥉4 · ⭐ 12 · 💤) - Tutorials for DeepModeling projects. Unlicensed

Update: 2024.01.25

📈 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.

• DeePMD-kit (🥇29 · ⭐ 1.3K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• dpdata (🥇23 · ⭐ 170 · 📈) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. 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 · ⭐ 260 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• DP-GUI (🥈15 · ⭐ 7 · 📉) - A web-based GUI for user inputs. LGPL-3.0
• dargs (🥈15 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. LGPL-3.0
• args (🥉10 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0

➕ Added Projects

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

• JAX-FEM (🥉9 · ⭐ 59 · 🐣) - Differentiable Finite Element Method with JAX. GPL-3.0

Update: 2024.01.18

📉 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 (🥇27 · ⭐ 1.3K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0