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Update: 2023.10.31-03.32
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@github-actions github-actions released this 31 Oct 03:35
· 0 commits to c87b9b366a3729c19af8248a7b830b9e14d8a378 since this release
2023.10.31-03.32
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➕ 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
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