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SeaWolf-AIΒ 
posted an update 2 days ago
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🧬 Your AI can design a malaria drug candidate. Can it tell you whether it's any good?

Open Discovery Challenge #1 β€” Malaria is live. Design a molecule with any model β€” OpenAI, Claude, Gemini, Qwen, KIMI, DeepSeek, open weights, or by hand β€” submit it as SMILES, and it's scored in minutes on whole-cell activity, target binding, selectivity over the human enzyme, ADMET, novelty and synthesisability.

You can check the scoring instead of trusting it. Approved drugs sit on the same leaderboard as the entries: DSM265, a clinical-stage antimalarial, scores 50.9. Teriflunomide β€” approved, but it hits the human enzyme β€” scores 2.8. Caffeine scores 1.8. If the clinical candidate lands on top and coffee lands at the bottom, the scorer discriminates.

We caught 14 defects before opening β€” conventional toxicity cutoffs rejected all three approved antimalarials and coffee. All written up, along with the rule we now hold everything to: a gate that rejects an approved drug is a broken gate.

Your molecule stays yours. No patent interest, nothing into our pipeline. You choose whether it's published β€” and publishing can cost you patentability, so we say so.

USD 1,000 to the top entry when Season #1 closes 30 September 2026 β€” not payment for your tokens, but a way of saying the work had worth.

Malaria killed ~597,000 people in 2023, three quarters of them children under five. Not for want of chemistry β€” for want of a market.

No chemistry needed: the guide ships five prompts you can paste straight into your model, and the full rubric is published.

πŸ“– https://huggingface.co/blog/FINAL-Bench/open-discovery-challenge
πŸš€ FINAL-Bench/open-discovery-challenge

Computational assessments of candidates β€” not measurements, not claims of efficacy.

Let’s be honest for a second and look past the noble "saving the world from malaria" wrap. While the marketing here deserves an A+, the actual technical and legal setup of this "challenge" looks like a classic textbook scheme to find free labor for a bowl of rice (or in this case, a single $1,000 carrot for the entire internet).Here is some basic math and legal reality that doesn't add up:1. The "Prior Art" Trap (Say goodbye to your molecule)You proudly state: "Your molecule stays yours. No patent interest...". But let’s look at how patent law actually works. The moment an automated bot scores a submitted SMILES string and slaps it onto a public leaderboard, that molecular structure becomes Prior Art (public domain). It instantly loses its novelty factor worldwide. This means the user can never patent it anyway.On the flip side, what prevents anyone from harvesting this entire public leaderboard of pre-filtered, high-scoring SMILES strings to train their own proprietary, closed-source commercial models? You get a free, crowdsourced, pre-validated dataset; the creator gets a ruined chance at IP. Brilliant.2. Overfitting the "Oracle" (Gaming a broken gate)You mentioned you fixed 14 defects where the scorer rejected approved drugs. If your reward function/rubric is fully hardcoded or relies on standard public benchmarks (like TDC), this isn't a drug discovery challenge. It’s an overfitting challenge. Any script running a basic genetic algorithm can spend a night brute-forcing SMILES variations until it finds the exact mathematical "blind spots" of your scorer to hit a 99.9 score.You aren't discovering antimalarials; you are just inviting people to benchmark how to trick your specific codebase.3. In Silico Fantasy vs. In Vitro RealityA high score on a computational rubric means absolutely nothing in the real world. A molecule can look flawless on paper, but turn into an un-synthesizable, insoluble sludge in a real beaker, or instantly bind to human plasma proteins. Since there are zero actual in vitro wet-lab validations promised for the winners, this whole leaderboard is just a simulation of a simulation.Summary:Paying $1,000 for what is essentially a massive, crowdsourced data-cleaning and feature-generation campaign is an absolute steal. If you want high-quality chemical leads, hire actual medicinal chemists. If you want to stress-test your code and harvest free data from AI enthusiasts who don't understand patent law, keep doing exactly what you're doing.Let's see if the final leaderboard contains anything other than over-optimized algorithmic noise. 🍌 clowns.

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Thank you for the scrutiny. Two of your points are right; one is factually wrong.

You're right that the scorer can be gamed. We suspected the same thing and ran an adversarial probe against ourselves. Without seeing the top entry's structure β€” it's private β€” we reached the same molecule by systematically walking substituents. That means the binding axis carries a bias with no chemical basis behind it, and we have the measurements. We also measured the scorer's own reproducibility: Β±0.51 points, run to run. Season rules don't change after a season opens, so Season #1 closes under the rubric as published, and the defect is corrected in Season #2. Publishing the specifics now would hand an advantage to whoever read this thread, so we'll release the full measurements when the season closes.

You're right that this is in silico. Our scores are computational assessments of candidates, not measurements. The page says so. We can't promise wet-lab validation today, and we won't promise what we can't deliver.

The patent point is wrong. We state that risk before anyone submits: "Publishing a structure can cost you patentability. If you have commercial intent, keep it private and file first." Private is the default, and most of the current top entries chose it. Private structures never appear on the leaderboard.

This is a strong challenge shape precisely because the limits are stated in public: in-silico only, scorer can be gamed, private submissions by default, and the scoring bugs become part of the audit trail instead of being hidden.

The most interesting part to me is not just β€œcan an AI design a candidate?” It is whether many different models converge on the same scorer weakness, or whether the leaderboard starts revealing distinct search styles across models. That kind of meta-result can be useful even before wet-lab validation.

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This is a strong challenge shape precisely because the limits are stated in public: in-silico only, scorer can be gamed, private submissions by default, and the scoring bugs become part of the audit trail instead of being hidden.

The most interesting part to me is not just β€œcan an AI design a candidate?” It is whether many different models converge on the same scorer weakness, or whether the leaderboard starts revealing distinct search styles across models. That kind of meta-result can be useful even before wet-lab validation.

So we went from 'Your AI can design a malaria drug candidate' to 'Let’s study how different LLMs converge on our broken code logic'? Talk about a massive goalpost shift.If the goal is to analyze search styles across models or build an audit trail of computational bugs, that’s a fine software engineering benchmark. Just don't wrap it in a noble 'saving lives from malaria due to lack of market' humanitarian package. It’s highly cynical to leverage a global health crisis as a marketing hook for what you now openly admit is just an adversarial fuzzing sandbox for a flawed in-silico scorer.As for the 'private data' defenseβ€”saying it's safe because it's the default doesn't change the infrastructure reality. Zero-equity decentralized teams asking for multi-million dollar unpatented IP to be uploaded to their private servers under a 'just trust us' policy is an operational joke.You didn't build a drug discovery challenge. You built a bug-bounty hunt, except you're paying the winners $1,000 to find glitches in your own codebase while you harvest the data. Good luck with the meta-results. 🍌