Reverse Dependencies of ase

The following projects have a declared dependency on ase:

• simetuc — simetuc: Simulating Energy Transfer and Upconversion
• SimEx-Lite — The core package of the SIMEX platform providing the calculator interfaces.
• simgen — no summary
• simmate — Simmate is a toolbox for computational materials research.
• simple-build-dgcode — The Geant4-based coding framework originating in the ESS Detector Group, provided as a simplebuild bundle of packages.
• sisl — Manipulation and post-processing of DFT output and creating tight-binding models for NEGF transport
• SITH — Stress Induced Traversal of Hessian
• skmatter — A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities.
• slmat — ServerLess Materials Design
• SMACT — Semiconducting Materials by Analogy and Chemical Theory
• smatool — "SMATool - Automated toolkit for computing zero and finite-temperature strength of materials",
• solvis-tools — A module for analyzing and visualizing solvation shells in LAMMPS output files, but would work with most files that can be handled by ASE.
• Soprano — A Python library to crack crystals
• sovapy — SOVA (Structural Order Visualization and Analysis) with python
• spap — This program can analyze symmetry and compare similarity of atomic structures.
• sparc-dft-api — Python Wrapper for the SPARC-X DFT Code
• sparc-x-api — Python API for the SPARC DFT Code
• spbnet — spbnet
• spgrep-modulation — Collective atomic modulation analysis with irreducible space-group representation
• spin-phonon-suite — A package for performing spin-phonon coupling calculations with openMOLCAS, VASP, and Gaussian
• Spinney — Spinney: a Python package for assisting with first-principles simulations of point defects in solids.
• ssptools — Various specialized tools for working with the input and output of VASP
• stacking-2d-systems — A python package for creating stack layers of 2D systems.
• state-interface — ASE STATE interface
• stemtool — A single package for analyzing atomic resolution STEM, 4D-STEM and STEM-EELS datasets, along with basic STEM simulation functionality
• stm-sim — An STM simulation python library.
• strainjedi — The python distribution for the JEDI analysis
• STREUSEL — no summary
• strucscan — no summary
• structdbrest — REST API interface to atomistictools.org website
• structure2symmetry — A python package to extract symmetry information from structure files, including POSCAR, CIF, and other format supported by ase.io.read.
• structuretoolkit — build, analyse and visualise atomistic structures for materials science
• supercellmap — Supercellmap is a tool to map primitive cell quantities in primitive cell into supercells.
• surface-construct — Surface termination construction especially for complex model, such as oxides or carbides.
• surfgraph — A package for generating chemical environment graphs of surfaces
• SuSMoST — SUrface Science MOdeling and Simulation Toolkit
• sympair — A library for finding symmetric atomic pairs in crystal lattice structure.
• TB2J — TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
• TBdMM — Compute tight-binding Hamiltonian matrix and d-band moment from a structure
• tensorpotential — Graph Atomic Cluster Expansion (GRACE)
• texase — Textual user interface for ASE db.
• thermochemistry-step — A SEAMM plug-in for Thermochemistry
• thick2d — "THICK-2D -- Thickness Hierarchy Inference & Calculation Kit for 2D materials",
• ToBaCco-Modified — Topological MOF generator by molecular block alignment.
• tools-barebone — A base scaffolding to create online web tools
• tools4vasp — Python tools for VASP
• topsearch — A Python package for topographical analysis of machine learning models and physical systems
• torch-dftd — pytorch implementation of dftd2 & dftd3
• torch-geometric — Graph Neural Network Library for PyTorch
• torch-nl — TorchScript-able neighbor lists implementations (linear and quadratic scaling) for molecular modeling
• torch-pme — Particle-mesh based calculations of long-range interactions in PyTorch
• totEnJ — Heisenberg Hamitlonian parametrization from ab initio total energy of magnetic supercells
• tpd-analyse — A python module of determining adsorption energies from temperature programmed desorption curves
• tscode — Computational chemistry general purpose transition state builder and ensemble optimizer
• ucbshift — UCBShift is a tool for predicting and visualizing chemical shifts of molecules.
• uf3 — Ultra-Fast Force Fields for molecular dynamics
• vasp-suite — A package for creating and handling input files for vasp
• vaspanalyse — Command line tools for analysing vasp outputs
• vasprun — Utility/library to process vasprun.xml, possibly more.
• VASPsol — A VASPsol python helper package to simplify calculations and analysis
• vasptools — tool collection for parsing vasp inputs & outputs
• vaspvis — A highly flexible and customizable library for visualizing electronic structure data from VASP calculations
• vbelt — The VASP user's tool belt.
• viewORCA — This program is designed to allow the user to inspect calculations from ORCA. This is to be used along side the ORCA Reaction Mechanism Tutorial.
• vre-language — VRE Language
• wailord — Wailord is a python library to interact with ORCA
• wannierbuilder — Library for building Wannier functions
• weas-widget — A widget to visualize and interact with atomistic structures in Jupyter Notebook.
• wfgenes — Scientific workflow
• wfl — no summary
• widget-bzvisualizer — A Jupyter widget to show the Brillouin zone of periodic crystals.
• workgraph-collections — Collections of node-based workflow created using aiida-workgraph.
• wu-toolkit — 个人用的命令包
• wulffpack — A package for making Wulff constructions
• x3dase — Drawing and rendering atoms and molecules objects using X3DOM. X3dase can be used as a viewer for the molecule structure in the Jupyter notebook.
• xdatbus — A Python package enhancing VASP AIMD simulation
• xespresso — Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
• XtraCrysPy — A Python tool for visualizing atomic systems and properties of condensed matter.
• xyz-py — A package for manipulating xyz files and chemical structures
• yaiv — Yet another Ab Initio Visualizer with a variety of tools
• zndraw — Display and Edit Molecular Structures and Trajectories in the Browser.
• zndraw-utils — ZnDraw Extensions
• znframe — ZnFrame - ASE-like Interface based on dataclasses
• znh5md — ASE Interface for the H5MD format.
• znlib — no summary