qm-atlas
QM-ATLAS is a python package that orchestrates QM calculations. Based on thin wrappers of external software, more complex modules are built, exposing single calculation steps as well as multi-step workflows. The repository provides a flexible command-line interface that allows to define complex workflows in single configuration files.
Details
- External ID
- 1370103573
- Source
- GITHUB
- Company
- —
- Product
- qm-atlas
- Website domain
- github.com
- Launched
- Sept. 14, 2026
- Cohort
- —
- Upvotes
- 10
- Upvotes percentile
- 0.28183448629259544
- Tags
- —
- Fetched at
- Sept. 18, 2026, 5:02 p.m.
- Updated at
- Sept. 18, 2026, 5:02 p.m.
Enrichment
- Theme
- scientific computing and deep tech tools
- Vertical
- Horizontal
- Function
- Workflow automation
- Audience
- Developer
- AI stance
- Not AI
- Project type
- Hobby / open-source project
- Normalized one-liner
- workflow orchestrator for quantum mechanical calculations
- Manually corrected
- False
Could you build this?
Partial The Python CLI and workflow orchestration logic are straightforward, but correctly chaining and validating quantum chemistry calculations requires deep domain expertise in computational chemistry.
What it would actually take: The architecture consists of a Python-based execution engine with configuration-driven workflow definition (YAML/JSON) wrapping external quantum chemistry packages like ORCA, Gaussian, or Turbomole. The hard parts are writing resilient parsers for diverse quantum chemistry log files, managing electronic structure convergence failures, and understanding quantum mechanical methodology to ensure valid multi-step workflows.
Competitors
Other products that read as similar to this one — 20 launches clear the similarity bar, closest 8 shown.
Attention rank: #18 of 21 (itself plus its competitors, highest first — normalized so YC and Product Hunt are compared fairly).
Launched 260 days after the earliest competitor.
- ATLAS · ph · 2026-09-07 · 1 upvotes · similarity 0.46
- QCLab · ph · 2026-09-17 · 1 upvotes · similarity 0.39
- Qterm · ph · 2026-09-08 · 3 upvotes · similarity 0.38
- Atlas Academic AI · ph · 2026-09-12 · 1 upvotes · similarity 0.37
- AtlasScout · ph · 2026-09-26 · 1 upvotes · similarity 0.36
- Atlas Infrastructure · ph · 2026-09-10 · 2 upvotes · similarity 0.35
- QMeet · ph · 2026-09-10 · 2 upvotes · similarity 0.35
- repo-atlas · github · 2026-09-15 · 9 upvotes · similarity 0.34
Other launches for this product
- No other launches for this product.
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