| Name | Version | Summary | date |
| mkite-db |
25.11.3 |
mkite: distributed computing platform for high-throughput materials simulations |
2025-11-04 04:43:04 |
| oect-infra |
3.1.1 |
OECT (Organic Electrochemical Transistor) data processing infrastructure for experiment management, feature engineering, and analysis |
2025-11-04 04:42:17 |
| mkwind |
25.11.3 |
mkwind is a job building/submission automator companion to mkite |
2025-11-04 04:39:10 |
| mkite-vasp |
25.11.3 |
mkite_vasp is a plugin to execute VASP calculations using mkite |
2025-11-04 04:37:15 |
| mkite-engines |
25.11.3 |
engines for connecting messages to/from mkite |
2025-11-04 04:30:11 |
| mkite-core |
25.11.3 |
distributed computing for high-throughput materials simulation |
2025-11-04 04:28:33 |
| pyiron-workflow-lammps |
0.0.5 |
A LAMMPS workflow integration package for pyiron |
2025-11-02 23:26:51 |
| ParticleAnalyzer |
1.3.3 |
SEM Image Analysis Tool |
2025-10-30 05:04:10 |
| homodyne-analysis |
1.0.1 |
High-performance Python package for analyzing homodyne scattering in X-ray Photon Correlation Spectroscopy (XPCS) with frame counting fixes (v1.0.0+) and conditional angle subsampling for preserving angular information |
2025-10-10 00:39:39 |
| torch-sim-atomistic |
0.4.0 |
A pytorch toolkit for calculating material properties using MLIPs |
2025-10-09 20:41:26 |
| nomad-neb-workflows |
1.0.2 |
A NOMAD plugin containing the section definitions of a standard Nudged Elastic Band (NEB) workflow. |
2025-10-09 07:33:10 |
| suvtools |
1.2.0 |
Python library for analyzing and visualizing SSLS SUV Beamline data. |
2025-10-08 00:43:43 |
| xraylabtool |
0.2.2 |
Ultra-fast Python package for X-ray optical properties calculation with CXRO/NIST data, CLI tools, and synchrotron applications |
2025-09-12 14:47:58 |
| lammpskit |
1.2.0 |
A Python toolkit for advanced LAMMPS data processing and scientific simulation analysis. |
2025-07-28 23:25:31 |
| openrxn-perovskite-optimizer |
1.0.0 |
AI-driven perovskite solar cell optimization platform with OpenAI Agents SDK |
2025-07-16 19:26:47 |
| SMACT |
3.0.2 |
Semiconducting Materials by Analogy and Chemical Theory |
2025-01-13 18:46:51 |
| arpespythontools |
1.2.2 |
Explore, analyze, visualize Angle Resolved Photoemission Spectroscopy (ARPES) data. |
2025-01-08 03:39:08 |
| mkite-catalysis |
24.9.5 |
plugin to deal with surface- and catalysis-related operations in mkite |
2024-09-05 17:53:27 |
| mkite-conformer |
24.9.5 |
plugin to deal with conformer generation in mkite |
2024-09-05 17:52:49 |
| ifermi |
0.3.5 |
Fermi surface plotting tool from DFT output |
2024-08-20 11:09:38 |