pypi.org "orca" keyword
wailord 0.2.0
Wailord is a python library to interact with ORCA7 versions - Latest release: 4 months ago - 1 dependent repositories - 83 downloads last month - 8 stars on GitHub - 1 maintainer
orca-pi 2.0.0
Python interface for the quantum chemical ORCA software package.3 versions - Latest release: 9 months ago - 458 downloads last month - 197 stars on GitHub - 1 maintainer
opi-orca 1.0.0
Python interface for the quantum chemical ORCA software package.1 version - Latest release: over 1 year ago - 197 stars on GitHub - 1 maintainer
ponk 0.14.0
Python client for the ponk API: Solana DLMM liquidity agents, and webhook verification.12 versions - Latest release: about 16 hours ago - 179 downloads last month - 0 stars on GitHub - 1 maintainer
mole-viewer 0.3.0
Lightweight viewer for ensembles of molecular structures with an interactive E vs n plot, fast ov...2 versions - Latest release: 2 days ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
moleditpy-job-manager 3.9.4
Submit, monitor and collect computational chemistry jobs over SSH, on schedulers, locally or thro...22 versions - Latest release: 1 day ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
pyqrc 2.4.0
A Python program to project computed structures along normal modes for Quick Reaction Coordinate ...4 versions - Latest release: about 1 month ago - 1 dependent repositories - 60 downloads last month - 45 stars on GitHub - 1 maintainer
orca-lab 26.10.1
OrcaLab - Cloud-native robotics simulation platform with advanced UI and asset management34 versions - Latest release: 2 days ago - 686 downloads last month - 10 stars on GitHub - 1 maintainer
orca-auto 10.2.4
ORCA_auto: durable ORCA queues and supervised execution13 versions - Latest release: 3 days ago - 897 downloads last month - 1 stars on GitHub - 1 maintainer
swfactory 3.2.0
A method and a CLI to build software with coding agents (Claude Code, Codex) on Orca: design, app...7 versions - Latest release: 4 days ago - 0 downloads last month - 1 maintainer
sol-parser-sdk-python 0.11.0
Solana DEX program log parsing (pure Python, API aligned with sol-parser-sdk)20 versions - Latest release: 4 days ago - 273 downloads last month - 4 stars on GitHub - 1 maintainer
goodvibes 4.4.0
A python program to compute corrections to thermochemical data from frequency calculations13 versions - Latest release: about 2 months ago - 2 dependent packages - 1 dependent repositories - 21 thousand downloads last month - 179 stars on GitHub - 1 maintainer
delfin-complat 1.1.12
DELFIN is a modular computational chemistry platform that automates end-to-end molecular workflow...21 versions - Latest release: 7 months ago - 83 downloads last month - 9 stars on GitHub - 1 maintainer
monitorolive 0.1.0
Parse, split, and monitor ORCA output files, with optional gnuplot convergence plots.1 version - Latest release: 3 months ago - 18 downloads last month - 1 maintainer
polytree 0.1.8
One feature, many repos: the same branch everywhere, one agent that sees it all.1 version - Latest release: 4 months ago - 7 downloads last month - 1 stars on GitHub - 1 maintainer
orca-webui 0.1.11
A Gradio web UI for simple ORCA computational-chemistry calculations (single point, ground- and e...11 versions - Latest release: 2 months ago - 162 downloads last month - 2 stars on GitHub - 1 maintainer
orca-workbench 1.6.0
Desktop GUI for building, launching, monitoring, and analysing ORCA quantum-chemistry calculation...7 versions - Latest release: about 2 months ago - 239 downloads last month - 0 stars on GitHub - 1 maintainer
crossvib 0.1.0
Cross-environment vibrational normal-mode correlation and classification (VMARD/.nma and ORCA .hess)1 version - Latest release: 4 months ago - 151 downloads last month - 1 maintainer
qcinput 0.8.0
Generate quantum chemistry input files from molecular structures6 versions - Latest release: 7 months ago - 58 downloads last month - 0 stars on GitHub - 1 maintainer
orca-agent-skills 1.0.2 💰
Runtime for executing reusable AI agent skills and capability bindings2 versions - Latest release: 6 months ago - 27 downloads last month - 73 stars on GitHub - 1 maintainer
fastesp 0.1.0
Exact electrostatic potential from a Gaussian-basis wavefunction, evaluated analytically and solv...1 version - Latest release: 26 days ago - 0 downloads last month - 1 stars on GitHub - 1 maintainer
aiida_orca 0.7.0
AiiDA-Orca plugin5 versions - Latest release: over 3 years ago - 372 downloads last month - 8 stars on GitHub - 1 maintainer
Top 9.6% on pypi.org
12 versions - Latest release: 4 months ago - 517 downloads last month - 1 maintainer
orca-sph 26.6.6
OrcaSPH - SPH Fluid Simulator with OrcaLink Integration12 versions - Latest release: 4 months ago - 517 downloads last month - 1 maintainer
orca-platform-sdk-ui 1.0.16
Clean, minimal package for Orca platform integration12 versions - Latest release: 8 months ago - 277 downloads last month - 0 stars on GitHub - 1 maintainer
orcapt-sdk 2.0.0
Clean, minimal package for Orca platform integration6 versions - Latest release: 11 months ago - 68 downloads last month - 0 stars on GitHub - 1 maintainer
pyrvo 0.4.3
Python bindings for ORCA (Optimal Reciprocal Collision Avoidance) library4 versions - Latest release: about 1 year ago - 2.79 thousand downloads last month - 5 stars on GitHub - 1 maintainer
tree-sitter-orca 0.2.2
Parser for input file for the Orca quantum chemistry package4 versions - Latest release: about 1 year ago - 9 downloads last month - 7 stars on GitHub - 1 maintainer
openwfn 0.11.0
Reproducible wavefunction post-processing with CLI, Python API, validation, and research exports19 versions - Latest release: about 1 month ago - 1.69 thousand downloads last month - 1 stars on GitHub - 1 maintainer
orca-graphlets 0.1.4
ORCA: Python wrapper for efficient graphlet counting3 versions - Latest release: over 1 year ago - 158 downloads last month - 0 stars on GitHub - 1 maintainer
qcrun 2025.6.11
dft runner2 versions - Latest release: over 1 year ago - 48 downloads last month - 1 maintainer
orca-mlips 1.3.0
MLIP plugins for ORCA ExtTool (UMA, ORB, MACE, AIMNet2)5 versions - Latest release: about 1 month ago - 121 downloads last month - 5 stars on GitHub - 1 maintainer
orca-mcp-server 1.0.2
Orca Security MCP Server9 versions - Latest release: over 1 year ago - 770 downloads last month - 1 maintainer
orcacal 0.0.27
test25 versions - Latest release: almost 2 years ago - 11 downloads last month - 14 stars on GitHub - 1 maintainer
cloudsentrix 2.1.0
Multi-Cloud IAM Attack-Path Analyzer — GCP, AWS, Azure, K8s, Terraform4 versions - Latest release: 3 months ago - 57 downloads last month - 1 stars on GitHub - 1 maintainer
nsg-orca 0.0.2
A module to interact with NSG Orca data2 versions - Latest release: about 6 years ago - 1 dependent repositories - 14 downloads last month - 1 maintainer
compchem-cctop 0.2.2
A minimal terminal dashboard for computational chemistry output files.9 versions - Latest release: 6 months ago - 1 maintainer
tcutility 0.16.12
Utility package for working with AMS/ADF within the Theoretical Chemistry group at the Vrije Univ...63 versions - Latest release: about 1 year ago - 484 downloads last month - 7 stars on GitHub - 2 maintainers
orca-openstackclient 2.7.0
orca — OpenStack Rich Command-line Alternative25 versions - Latest release: 5 months ago - 439 downloads last month - 1 maintainer
Related Keywords
computational-chemistry
10
gaussian
8
cli
6
chemistry
6
quantum-chemistry
6
dft
5
hpc
4
quantum chemistry
4
computational chemistry
4
python
4
qchem
3
ai
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orca-quantum-chemistry
3
machine learning
2
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chatbot
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platform
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integration
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fastapi
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cp2k
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spectroscopy
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simulation
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thermochemistry
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agents
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pbs
1
pumpfun
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pumpswap
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python3
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yellowstone-grpc
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circular dichroism
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tddft
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gradio
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frequency-calculation
1
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qrc
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reaction-coordinate
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transition-structure
1
compchem
1
vibrational-entropies
1
temperature
1
dispersion
1
quasi-harmonic
1
rrho
1
0xfnzero
1
asyncio
1
copy-trading
1
dex-events
1
event-parser
1
fnzero
1
grpc
1
jito
1
dca
1
sph
1
fluids
1
orcalink
1
fluid-dynamics
1
ir-sim
1
electrostatic-potential
1
ESP
1
gaussian-basis
1
cuda
1
gpu
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multiwfn
1
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esp
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claude-code
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codex
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software-factory
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job manager
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wailord
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monorepo
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incremental
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parsing
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tree-sitter
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aimnet
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geometry-optimization
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mace
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machine-learning-interatomic-potential
1