deepmodeling-projects

🏆 A ranked list of awesome projects. Updated weekly.

This curated list contains 36 awesome open-source projects with a total of 3K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an issue, submit a pull request, or directly edit the projects.yaml. Contributions are very welcome!

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Others 36 projects

Explanation

🥇🥈🥉 Combined project-quality score
⭐️ Star count from GitHub
🐣 New project (less than 6 months old)
💤 Inactive project (6 months no activity)
💀 Dead project (999999999 months no activity)
📈📉 Project is trending up or down
➕ Project was recently added
👨‍💻 Contributors count from GitHub
🔀 Fork count from GitHub
📋 Issue count from GitHub
⏱️ Last update timestamp on package manager
📥 Download count from package manager
📦 Number of dependent projects

Others

DeePMD-kit (🥇29 · ⭐ 1.3K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0

GitHub (👨‍💻 65 · 🔀 450 · 📥 33K · 📦 13 · 📋 620 - 18% open · ⏱️ 23.01.2024):
```
 git clone https://github.com/deepmodeling/deepmd-kit
```
PyPi (📥 2.7K / month):
```
 pip install deepmd-kit
```

Conda (📥 470K · ⏱️ 03.03.2024):

 conda install -c conda-forge deepmd-kit

npm (📥 11 / month):
```
 npm install deepmd-kit
```
Docker Hub (📥 2.2K · ⭐ 1 · ⏱️ 04.03.2024):
```
 docker pull deepmodeling/deepmd-kit
```

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

GitHub (👨‍💻 62 · 🔀 160 · 📥 1.6K · 📦 4 · 📋 270 - 9% open · ⏱️ 02.11.2023):
```
 git clone https://github.com/deepmodeling/dpgen
```
PyPi (📥 520 / month):
```
 pip install dpgen
```
Conda (📥 27K · ⏱️ 02.11.2023):
```
 conda install -c conda-forge dpgen
```

dpdata (🥇23 · ⭐ 180) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0

GitHub (👨‍💻 51 · 🔀 120 · 📦 110 · 📋 86 - 13% open · ⏱️ 31.10.2023):
```
 git clone https://github.com/deepmodeling/dpdata
```
PyPi (📥 25K / month):
```
 pip install dpdata
```
Conda (📥 64K · ⏱️ 31.10.2023):
```
 conda install -c conda-forge dpdata
```
Docker Hub (📥 78 · ⏱️ 02.06.2023):
```
 docker pull dptechnology/dpdata
```

ABACUS (🥇22 · ⭐ 140) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0

GitHub (👨‍💻 91 · 🔀 89 · 📋 1.2K - 14% open · ⏱️ 21.03.2024):
```
 git clone https://github.com/deepmodeling/abacus-develop
```
Conda (📥 19K · ⏱️ 04.03.2024):
```
 conda install -c conda-forge abacus
```

dpdispatcher (🥇22 · ⭐ 37) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0

GitHub (👨‍💻 43 · 🔀 48 · 📦 45 · 📋 65 - 21% open · ⏱️ 20.03.2024):
```
 git clone https://github.com/deepmodeling/dpdispatcher
```
PyPi (📥 1.8K / month):
```
 pip install dpdispatcher
```

Conda (📥 6.8K · ⏱️ 21.01.2024):

 conda install -c conda-forge dpdispatcher

Docker Hub (📥 91K · ⏱️ 21.01.2024):
```
 docker pull dptechnology/dpdispatcher
```

reacnetgenerator (🥈21 · ⭐ 56) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0

GitHub (👨‍💻 18 · 🔀 30 · 📦 1 · 📋 120 - 4% open · ⏱️ 20.03.2024):
```
 git clone https://github.com/deepmodeling/reacnetgenerator
```
PyPi (📥 3.3K / month):
```
 pip install reacnetgenerator
```

Conda (📥 280K · ⏱️ 06.01.2024):

 conda install -c conda-forge reacnetgenerator

dflow (🥈18 · ⭐ 48) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0

GitHub (👨‍💻 21 · 🔀 21 · 📋 34 - 38% open · ⏱️ 18.03.2024):
```
 git clone https://github.com/deepmodeling/dflow
```
PyPi:
```
 pip install dflow
```
Conda:
```
 conda install -c conda-forge dflow
```
Docker Hub (📥 3.3K · ⏱️ 18.03.2024):
```
 docker pull dptechnology/dflow
```

DeepFlame (🥈17 · ⭐ 120) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0

GitHub (👨‍💻 22 · 🔀 54 · 📋 43 - 34% open · ⏱️ 13.03.2024):
```
 git clone https://github.com/deepmodeling/deepflame-dev
```

DP-GUI (🥈16 · ⭐ 7) - A web-based GUI for user inputs. LGPL-3.0

GitHub (👨‍💻 3 · 🔀 4 · 📦 5 · ⏱️ 13.03.2024):
```
 git clone https://github.com/deepmodeling/dpgui
```
PyPi (📥 23K / month):
```
 pip install dpgui
```

dargs (🥈16 · ⭐ 5) - Argument processing for the deep modeling project. LGPL-3.0

GitHub (👨‍💻 5 · 🔀 1 · 📦 110 · 📋 7 - 14% open · ⏱️ 13.03.2024):
```
 git clone https://github.com/deepmodeling/dargs
```
PyPi (📥 37K / month):
```
 pip install dargs
```
Conda (📥 22K · ⏱️ 21.02.2024):
```
 conda install -c conda-forge dargs
```

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

GitHub (👨‍💻 14 · 🔀 38 · 📋 24 - 37% open · ⏱️ 12.01.2024):
```
 git clone https://github.com/deepmodeling/DMFF
```
Conda (📥 160 · ⏱️ 06.01.2024):
```
 conda install -c conda-forge dmff
```

DeePTB (🥈13 · ⭐ 28) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0

GitHub (👨‍💻 7 · 🔀 10 · 📋 20 - 10% open · ⏱️ 21.03.2024):
```
 git clone https://github.com/deepmodeling/DeePTB
```

DPGEN2 (🥈13 · ⭐ 25 · 📉) - 2nd generation of the Deep Potential GENerator. LGPL-3.0

GitHub (👨‍💻 11 · 🔀 16 · 📦 1 · 📋 26 - 38% open · ⏱️ 16.03.2024):
```
 git clone https://github.com/deepmodeling/dpgen2
```
PyPi (📥 51 / month):
```
 pip install dpgen2
```
Docker Hub (📥 2.4K · ⏱️ 16.03.2024):
```
 docker pull dptechnology/dpgen2
```

JAX-FEM (🥈12 · ⭐ 110 · 🐣) - Differentiable Finite Element Method with JAX. GPL-3.0

GitHub (👨‍💻 7 · 🔀 23 · 📋 18 - 83% open · ⏱️ 21.03.2024):
```
 git clone https://github.com/deepmodeling/jax-fem
```
PyPi (📥 220 / month):
```
 pip install jax-fem
```

rid-kit (🥈12 · ⭐ 42) - Reinforced dynamics. LGPL-3.0

GitHub (👨‍💻 14 · 🔀 20 · 📥 140 · ⏱️ 22.09.2023):
```
 git clone https://github.com/deepmodeling/rid-kit
```
PyPi (📥 33 / month):
```
 pip install rid-kit
```

deepmodeling_sphinx (🥈12 · ⭐ 2 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0

GitHub (👨‍💻 5 · 🔀 5 · ⏱️ 17.12.2023):

 git clone https://github.com/deepmodeling/deepmodeling_sphinx

PyPi (📥 3K / month):
```
 pip install deepmodeling_sphinx
```

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

GitHub (👨‍💻 4 · 🔀 10 · ⏱️ 17.11.2023):
```
 git clone https://github.com/deepmodeling/APEX
```
PyPi (📥 300 / month):
```
 pip install apex-flow
```

DeePKS-kit (🥉9 · ⭐ 97 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0

GitHub (👨‍💻 6 · 🔀 31 · 📋 16 - 18% open · ⏱️ 01.04.2023):
```
 git clone https://github.com/deepmodeling/deepks-kit
```

args (🥉9 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0

GitHub (👨‍💻 2 · 🔀 1 · 📦 5 · ⏱️ 12.02.2024):
```
 git clone https://github.com/deepmodeling/args
```
npm (📥 140 / month):
```
 npm install @deepmodeling/args
```

Uni-Fold (🥉8 · ⭐ 90 · 💤) - Apache-2

GitHub (👨‍💻 3 · 🔀 17 · ⏱️ 18.08.2022):

 git clone https://github.com/deepmodeling/Uni-Fold

Docker Hub (📥 580 · ⏱️ 08.01.2024):
```
 docker pull dptechnology/unifold
```

dpti (🥉8 · ⭐ 18 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

GitHub (👨‍💻 13 · 🔀 18 · ⏱️ 05.07.2023):
```
 git clone https://github.com/deepmodeling/dpti
```
PyPi (📥 4 / month):
```
 pip install dpti
```

community (🥉7 · ⭐ 77) - DeepModeling community content. Unlicensed

GitHub (👨‍💻 15 · 🔀 18 · ⏱️ 12.03.2024):

 git clone https://github.com/deepmodeling/community

Blog (🥉7 · ⭐ 1) - DeepModeling Blog. LGPL-3.0

GitHub (👨‍💻 6 · 🔀 6 · ⏱️ 15.03.2024):
```
 git clone https://github.com/deepmodeling/blog
```

fpop (🥉7 · ⭐ 1) - LGPL-3.0

GitHub (👨‍💻 3 · 🔀 6 · 📦 3 · ⏱️ 28.02.2024):
```
 git clone https://github.com/deepmodeling/fpop
```
PyPi (📥 820 / month):
```
 pip install fpop
```

AIS-Square (🥉6 · ⭐ 9) - LGPL-3.0

GitHub (👨‍💻 8 · 🔀 7 · 📋 6 - 83% open · ⏱️ 06.12.2023):
```
 git clone https://github.com/deepmodeling/AIS-Square
```

docs (🥉6 · ⭐ 3) - The home page of DeepModeling documentation. LGPL-3.0

GitHub (👨‍💻 7 · 🔀 6 · ⏱️ 15.03.2024):
```
 git clone https://github.com/deepmodeling/docs
```

fealpy (🥉6 · ⭐ 2) - Finite Element Analysis Library in Python. Unlicensed

GitHub (👨‍💻 57 · ⏱️ 20.11.2023):

 git clone https://github.com/deepmodeling/fealpy

PyPi (📥 140 / month):
```
 pip install fealpy
```

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

GitHub (👨‍💻 10 · ⏱️ 17.01.2024):

 git clone https://github.com/deepmodeling/tbplas

AI4Science101 (🥉5 · ⭐ 78 · 💤) - AI for Science. Unlicensed

GitHub (👨‍💻 5 · 🔀 12 · ⏱️ 04.09.2022):

 git clone https://github.com/deepmodeling/AI4Science101

tutorials (🥉4 · ⭐ 12 · 💤) - Tutorials for DeepModeling projects. Unlicensed

GitHub (👨‍💻 10 · 🔀 20 · ⏱️ 26.09.2022):

 git clone https://github.com/deepmodeling/tutorials

tutorials-cn (🥉4 · ⭐ 3 · 💤) - LGPL-2.1

GitHub (👨‍💻 4 · 🔀 6 · ⏱️ 29.12.2022):

 git clone https://github.com/deepmodeling/tutorials-cn

DeepH-pack (🥉3 · ⭐ 11) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0

GitHub (👨‍💻 6 · 🔀 5 · 📋 4 - 50% open · ⏱️ 28.12.2023):
```
 git clone https://github.com/deepmodeling/DeepH-pack
```

ADMP (🥉2 · ⭐ 2 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. Unlicensed

GitHub (👨‍💻 7 · 🔀 1 · ⏱️ 15.02.2022):
```
 git clone https://github.com/deepmodeling/ADMP
```

LibRI (🥉1 · ⭐ 6 · 💤) - GPL-3.0

GitHub (👨‍💻 2 · 📋 3 - 66% open · ⏱️ 10.04.2023):
```
 git clone https://github.com/deepmodeling/LibRI
```

openfinite ( ⭐ 1 · 💤) - LGPL-3.0

GitHub (👨‍💻 2 · ⏱️ 06.10.2021):

 git clone https://github.com/deepmodeling/openfinite

dflow-op-cutter (💤) - Unlicensed

GitHub (👨‍💻 2 · ⏱️ 06.07.2022):

 git clone https://github.com/deepmodeling/dflow-op-cutter

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