Update: 2023.11.02

📈 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 · ⭐ 150 · 📈) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0
• DP-GEN (🥇23 · ⭐ 240 · 📈) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• DP-GUI (🥈17 · ⭐ 7 · 📈) - A web-based GUI for user inputs. LGPL-3.0
• dargs (🥈17 · ⭐ 5 · 📈) - Argument processing for the deep modeling project. LGPL-3.0
• APEX (🥈14 · ⭐ 11 · 📈) - APEX: Alloy Properties EXplorer using simulations. 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 · ⭐ 95 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0
• dpti (🥉6 · ⭐ 13 · 📉) - LGPL-3.0

Update: 2023.10.31-03.32

➕ Added Projects

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

• DeePMD-kit (🥇29 · ⭐ 1.2K · ➕) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0
• dpdata (🥇22 · ⭐ 150 · ➕) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0
• ABACUS (🥇22 · ⭐ 120 · ➕) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0
• DP-GEN (🥇21 · ⭐ 240 · 💤) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0
• dpdispatcher (🥇21 · ⭐ 33 · ➕) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0
• dflow (🥈17 · ⭐ 41 · ➕) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0
• 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
• DeepFlame (🥈15 · ⭐ 88 · ➕) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0
• rid-kit (🥈13 · ⭐ 38 · ➕) - Reinforced dynamics. LGPL-3.0
• DPGEN2 (🥈13 · ⭐ 19 · ➕) - 2nd generation of the Deep Potential GENerator. LGPL-3.0
• APEX (🥈13 · ⭐ 11 · 🐣) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0
• DMFF (🥈12 · ⭐ 120 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0
• deepmodeling_sphinx (🥈12 · ⭐ 2 · ➕) - Sphinx extension for DeepModeling projects. LGPL-3.0
• DeePKS-kit (🥉10 · ⭐ 95 · ➕) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0
• DeePTB (🥉10 · ⭐ 20 · 🐣) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0
• args (🥉10 · ⭐ 2 · ➕) - DeepModeling dargs arguments generation. Unlicensed
• fealpy (🥉10 · ⭐ 2 · 🐣) - Finite Element Analysis Library in Python. Unlicensed
• Uni-Fold (🥉7 · ⭐ 90 · 💤) - Apache-2
• dpti (🥉7 · ⭐ 13 · ➕) - LGPL-3.0
• AIS-Square (🥉7 · ⭐ 6 · ➕) - LGPL-3.0
• community (🥉6 · ⭐ 71 · ➕) - DeepModeling community content. Unlicensed
• AI4Science101 (🥉5 · ⭐ 73 · 💤) - AI for Science. Unlicensed
• tutorials (🥉5 · ⭐ 12 · 💤) - Tutorials for DeepModeling projects. Unlicensed
• DeepH-pack (🥉5 · ⭐ 10 · ➕) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0
• docs (🥉5 · ⭐ 3 · ➕) - The home page of DeepModeling documentation. Unlicensed
• fpop (🥉5 · ⭐ 1 · ➕) - LGPL-3.0
• tutorials-cn (🥉4 · ⭐ 3 · 💤) - LGPL-2.1
• Blog (🥉4 · ⭐ 1 · 💤) - DeepModeling Blog. Unlicensed
• ADMP (🥉2 · ⭐ 2 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. Unlicensed
• LibRI (🥉1 · ⭐ 6 · 🐣) - GPL-3.0
• openfinite ( ⭐ 1 · 💤) - LGPL-3.0
• dflow-op-cutter (💤) - Unlicensed