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Introducing Mol-1: Open Frontier Biomolecular Intelligence 🚀🚀🚀
📊 75.0% on FoldBench-AB, near IsoDDE's reported 75.58%!!!
🧬 60k-token assemblies on one single H20, outperforming Anthropic 8/10.
🎯 VHHs binding hit rate as high as 63% with best SPR KD at 43 pM.
GitHub: github.com/molence/Mol-1
Try it: lab.molence.com
1/15 🧬 Mol-1 on antibody structure prediction: on par with IsoDDE, open to build on.
75.0% median success at DockQ > 0.23, on par with IsoDDE’s reported 75.58%.
Across all 201,376 five-seed combinations from 32 seeds, 62.22% matched or exceeded 75% success—showing robust performance across seed selections.
We release the model code and weights so researchers can run Mol-1 in their own environment and build on its capabilities.
Code & weights: github.com/molence/Mol-1
Try Mol-1: lab.molence.com
#AIforScience #DrugDiscovery

ALT Two panels show FoldBench-AB success rates and the distribution over all 201,376 five-seed combinations from 32 seeds. Mol-1 scores 75.0%, compared with IsoDDE's plotted 75.6%; Mol-1 with constraints scores 88.3%. In the distribution, 62.22% of combinations reach at least 75% success and 17.85% reach at least 76%.
14/15 📍 Bring epitope knowledge into structure prediction.
With epitope information, Mol-1-constraint improves antibody–antigen success at DockQ > 0.23 across all four benchmarks:
• FoldBench-AB: 75.0% → 88.3%
• AF3-AB: 62.7% → 84.2%
• PXMeter-AB: 58.3% → 77.5%
• MolBench-AB-26: 57.3% → 79.4%
Evaluate Mol-1 and Mol-1-constraint with your own biological questions: lab.molence.com
#AIforScience
15/15 📍 Three residues can provide a useful structural clue.
In three case studies, we supplied three-residue site hypotheses informed by literature and monomer structures.
With Mol-1-constraint, DockQ improved:
• 0.014 → 0.874
• 0.011 → 0.739
• 0.200 → 0.863
These examples show how sparse biological hypotheses can guide complex prediction.
#AIforScience


