Update: 2024.05.09

📈 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 · ⭐ 59 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• APEX (🥈15 · ⭐ 16 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• JAX-FEM (🥈14 · ⭐ 150 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0
• Blog (🥉8 · ⭐ 1 · 📈) - DeepModeling Blog. 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

Update: 2024.05.02

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

Update: 2024.04.25

📈 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.

• DeePTB (🥈17 · ⭐ 32 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• JAX-FEM (🥈13 · ⭐ 140 · 🐣) - Differentiable Finite Element Method with JAX. GPL-3.0
• fealpy (🥉11 · ⭐ 2 · 📈) - Finite Element Analysis Library in Python. Unlicensed
• Blog (🥉7 · ⭐ 1 · 📈) - DeepModeling Blog. 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.

• APEX (🥉11 · ⭐ 13 · 📉) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0

Update: 2024.04.18

📈 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.

• DeePTB (🥈16 · ⭐ 32 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• DPGEN2 (🥈14 · ⭐ 28 · 📈) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• APEX (🥈12 · ⭐ 13 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• args (🥈12 · ⭐ 2 · 📈) - DeepModeling dargs arguments generation. LGPL-3.0
• dpti (🥉10 · ⭐ 18 · 📈) - 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.

• Blog (🥉6 · ⭐ 1 · 📉) - DeepModeling Blog. LGPL-3.0

Update: 2024.04.11

📈 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.

• DeePMD-kit (🥇29 · ⭐ 1.4K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• DP-GEN (🥇24 · ⭐ 280 · 📈) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• DMFF (🥈14 · ⭐ 140 · 📈) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0
• DeePTB (🥈14 · ⭐ 31 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• tutorials (🥉6 · ⭐ 12 · 💤) - 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.

• APEX (🥉11 · ⭐ 13 · 📉) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• fealpy (🥉9 · ⭐ 2 · 📉) - Finite Element Analysis Library in Python. Unlicensed

Update: 2024.04.04

📈 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.

• dpdata (🥇24 · ⭐ 180 · 📈) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0
• fealpy (🥉10 · ⭐ 2 · 📈) - Finite Element Analysis Library in Python. 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-GUI (🥈15 · ⭐ 7 · 📉) - A web-based GUI for user inputs. LGPL-3.0
• Uni-Fold (🥉7 · ⭐ 90 · 💤) - Apache-2

Update: 2024.03.28

📈 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 (🥇23 · ⭐ 140 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0
• dargs (🥈17 · ⭐ 5 · 📈) - Argument processing for the deep modeling project. LGPL-3.0
• rid-kit (🥈13 · ⭐ 42 · 📈) - Reinforced dynamics. LGPL-3.0
• APEX (🥉12 · ⭐ 13 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• DeePKS-kit (🥉10 · ⭐ 97 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. 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 · ⭐ 1.3K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• DP-GEN (🥇22 · ⭐ 270 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• reacnetgenerator (🥈20 · ⭐ 57 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• DeepFlame (🥈16 · ⭐ 120 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0

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