Update: 2024.10.17

📈 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.

• dpdispatcher (🥇23 · ⭐ 42 · 📈) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0
• APEX (🥈16 · ⭐ 23 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• fpop (🥉9 · ⭐ 2 · 📈) - 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.

• dpti (🥉11 · ⭐ 21 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

Update: 2024.10.10

📈 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.

• reacnetgenerator (🥈21 · ⭐ 65 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• JAX-FEM (🥈15 · ⭐ 260 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0
• deepmodeling_sphinx (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0
• dpti (🥉12 · ⭐ 21 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

Update: 2024.10.03

📉 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 (🥇26 · ⭐ 1.5K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• DP-GEN (🥇22 · ⭐ 300 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• args (🥉8 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0

Update: 2024.09.26

📈 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.

• JAX-FEM (🥈14 · ⭐ 240 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0
• rid-kit (🥈14 · ⭐ 44 · 📈) - Reinforced dynamics. LGPL-3.0
• dpti (🥉11 · ⭐ 21 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0
• fealpy (🥉8 · ⭐ 3 · 📈) - 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.

• fpop (🥉8 · ⭐ 2 · 📉) - LGPL-3.0

Update: 2024.09.19

📈 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.

• reacnetgenerator (🥈20 · ⭐ 64 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. 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.

• GPUMD (🥉10 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0

Update: 2024.09.12

📈 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.

• APEX (🥈15 · ⭐ 21 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• rid-kit (🥈13 · ⭐ 44 · 📈) - Reinforced dynamics. LGPL-3.0
• Uni-Fold (🥉7 · ⭐ 91 · 💤) - 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 (🥈19 · ⭐ 64 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• DP-GUI (🥈13 · ⭐ 7 · 📉) - A web-based GUI for user inputs. LGPL-3.0

Update: 2024.09.05

📈 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 · ⭐ 200 · 📈) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0
• DP-GEN (🥇23 · ⭐ 300 · 📈) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• community (🥉8 · ⭐ 81 · 📈) - 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.

• DeePTB (🥈16 · ⭐ 46 · 📉) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• rid-kit (🥉12 · ⭐ 44 · 📉) - Reinforced dynamics. LGPL-3.0
• Uni-Fold (🥉6 · ⭐ 91 · 💤) - Apache-2
• tbplas (🥉6 · ⭐ 7 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed

Update: 2024.08.29

📈 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 · ⭐ 63 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• DMFF (🥈14 · ⭐ 150 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0
• APEX (🥈14 · ⭐ 20 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• DP-GUI (🥈14 · ⭐ 7 · 📈) - A web-based GUI for user inputs. 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.

• DeepFlame (🥈17 · ⭐ 130 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0

Update: 2024.08.22

📈 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.

• DeepFlame (🥈18 · ⭐ 130 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0
• DeePTB (🥈17 · ⭐ 44 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• JAX-FEM (🥈13 · ⭐ 220 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0
• fpop (🥉9 · ⭐ 2 · 📈) - LGPL-3.0
• Uni-Fold (🥉7 · ⭐ 91 · 💤) - Apache-2

Update: 2024.08.15

📈 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 (🥇26 · ⭐ 150 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0
• DeePTB (🥈16 · ⭐ 40 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• GPUMD (🥉11 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0
• dpti (🥉10 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0
• tutorials (🥉6 · ⭐ 13 · 💤) - 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.

• dpdata (🥇23 · ⭐ 200 · 📉) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0
• reacnetgenerator (🥈19 · ⭐ 63 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0
• dargs (🥈19 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. LGPL-3.0
• rid-kit (🥈13 · ⭐ 42 · 📉) - Reinforced dynamics. LGPL-3.0
• JAX-FEM (🥉11 · ⭐ 210 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0