REPOGEO REPORT · LITE
JuDFTteam/best-of-atomistic-machine-learning
Default branch main · commit f4966001 · scanned 5/29/2026, 3:37:05 PM
GitHub: 690 stars · 66 forks
Action plan is what to do next — copy-pasteable changes prioritized by impact. Category visibility is the real GEO test: when a user asks an AI a brand-free question that should surface JuDFTteam/best-of-atomistic-machine-learning, does the AI actually recommend you — or your competitors? Objective checks verify the metadata signals AI engines weight first. Self-mention check detects whether AI even knows you exist by name.
Action plan — copy-paste fixes
3 prioritized changes generated by gemini-2.5-flash. Mark items done after you ship the fix.
- highreadme#1Reposition README opening to clarify it's a ranked list of open-source projects
Why:
CURRENT🏆 A ranked list of awesome atomistic machine learning (AML) projects. Updated regularly.
COPY-PASTE FIX🏆 A **ranked and curated list of open-source atomistic machine learning (AML) *projects***, not a software library or a collection of papers. Each project is scored based on various metrics for quality and impact, providing a unique resource for researchers and developers.
- mediumcomparison#2Add a 'What this list is (and isn't)' section to the README
Why:
COPY-PASTE FIX### What this list is (and isn't) This repository is a **ranked list of open-source atomistic machine learning projects**, scored by objective metrics. It is **not** a software library, a collection of research papers with summaries, or a simple unranked 'awesome list' of links. Our focus is on providing a data-driven overview of the most impactful and actively maintained projects in the field.
- lowhomepage#3Add the project homepage URL to the repository metadata
Why:
COPY-PASTE FIXhttps://best-of.org
Category GEO backends resolved for this scan: google/gemini-2.5-flash, deepseek/deepseek-v4-flash
Category visibility — the real GEO test
Brand-free queries asked to google/gemini-2.5-flash. Did AI recommend you, or someone else?
Same questions for every model — switch tabs to compare answers and rankings.
- pymatgen · recommended 1×
- matminer · recommended 1×
- MEGNet · recommended 1×
- M3GNet · recommended 1×
- Roost · recommended 1×
- CATEGORY QUERYWhere can I find high-quality open-source machine learning tools for materials science?you: not recommendedAI recommended (in order):
- pymatgen
- matminer
- MEGNet
- M3GNet
- Roost
- Atomistic Simulation Environment (ASE)
AI recommended 6 alternatives but never named JuDFTteam/best-of-atomistic-machine-learning. This is the gap to close.
Show full AI answer
- CATEGORY QUERYWhat are the best atomistic machine learning projects for computational chemistry research?you: not recommendedAI recommended (in order):
- MACE
- NequIP
- Allegro
- DPMD
- SchNetPack
- ASE
- TorchANI
AI recommended 7 alternatives but never named JuDFTteam/best-of-atomistic-machine-learning. This is the gap to close.
Show full AI answer
Objective checks
Rule-based audits of metadata signals AI engines weight most.
- Metadata completenesswarn
Suggestion:
- README presencepass
Self-mention check
Does AI even know your repo exists when asked about it directly?
- Compared to common alternatives in this category, what is the core differentiator of JuDFTteam/best-of-atomistic-machine-learning?passAI did not name JuDFTteam/best-of-atomistic-machine-learning — likely talking about a different project
AI answers can be confidently wrong. Read for accuracy: does it match your actual tech stack, audience, and differentiator?
- If a team adopts JuDFTteam/best-of-atomistic-machine-learning in production, what risks or prerequisites should they evaluate first?passAI named JuDFTteam/best-of-atomistic-machine-learning explicitly
AI answers can be confidently wrong. Read for accuracy: does it match your actual tech stack, audience, and differentiator?
- In one sentence, what problem does the repo JuDFTteam/best-of-atomistic-machine-learning solve, and who is the primary audience?passAI did not name JuDFTteam/best-of-atomistic-machine-learning — likely talking about a different project
AI answers can be confidently wrong. Read for accuracy: does it match your actual tech stack, audience, and differentiator?
Embed your GEO score
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JuDFTteam/best-of-atomistic-machine-learning — Lite scans stay free; this card itemizes Pro deep limits vs Lite.
- Deep reports10 / month
- Brand-free category queries5 vs 2 in Lite
- Prioritized action items8 vs 3 in Lite