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reacted to SeaWolf-AI's post with 😎 about 7 hours ago
We opened a benchmark for drug property prediction tools. LEADBOARD: 21 boards across 7 disciplines, 18,382 held-out compounds, labels we never hand out. Two numbers we hit while building it are the reason it exists. First. Split the hERG cardiotoxicity data at random and you get AUROC 0.818. Split it by first-report year instead and you get 0.606. Same molecules, same fingerprints, same learner, same hyperparameters. The only thing that changed was where the line went, and the score moved 0.211. That is a wider gap than you will find between most competing methods in the literature. Second. On 7 of our 19 regression boards, predicting the training mean for everything has a lower MAE than a trained gradient-boosted model. hERG is one of them, 0.599 against 0.589. The trained model loses. So every board publishes its homework before anyone submits. Three untrained baselines, the measured experimental noise floor from compounds that appear in two or more papers, and exactly how the test set was cut. A gap smaller than the noise floor is not a difference in skill, and you should be able to see that without guessing. Entering is simple. Download a test set that contains structures and nothing else, predict with whatever you like, upload a two-column CSV of compound_id and prediction. Trained model, physics engine, LLM, rule of thumb. We do not care what is inside. We measure the output. Post: https://huggingface.co/blog/FINAL-Bench/leadboard-drug Leaderboard: https://huggingface.co/spaces/FINAL-Bench/leadboard
liked a Space about 7 hours ago
FINAL-Bench/leadboard
reacted to SeaWolf-AI's post with 🔥 1 day ago
🔋 Open Materials Challenge, Season 1 — Solid-State Battery Electrolytes A solid-state battery replaces the liquid electrolyte of a lithium-ion cell with a solid. It does not catch fire, it lasts longer, and it can hold more. What has not been solved is finding a material that is solid and still lets lithium through. Such a material has to do four things at once: give lithium a path to move along, block electrons, hold up at the charging voltage, and survive contact with the lithium-metal anode without decomposing. Plenty of materials manage three. Very few manage all four. This challenge looks for candidates, together. You submit one composition — for example Li3YCl6. We score it computationally and place it on the board. There is no prize. Scoring (100 points) Oxidation stability 40 does it resist decomposing as the voltage rises Lithium-metal stability 35 does it survive contact with the anode Use novelty 25 higher if it has not been reported as an electrolyte Entry condition a percolating path for lithium must exist Ionic conductivity is not a scored axis this season. Every value is a computational estimate and implies nothing about real performance or safety. The board also carries seven electrolytes in actual use — LGPS, argyrodite, LLZO, LATP and others. They are scored but hold no rank. They are there so you can see where materials people already build with happen to land. Compositions are private by default. Nothing is disclosed unless you choose to publish it, and each entry is recorded with its timestamp. If a third party asks to discuss a particular entry, we pass the request along — never the submitter's identity, unless they agree to it. Season 1 runs 2026-08-21 to 11-30. A participation guide and a set of prompts are included. 👉 https://huggingface.co/spaces/FINAL-Bench/open-materials-challenge Our sister challenge🧪https://huggingface.co/spaces/FINAL-Bench/open-discovery-challenge
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