Unified 3D generative model for synthesizable structure-based drug design released as preprint
charlieharris01 · x · 2026-09-20
Researchers shared a preprint, "A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design," presenting a single 3D generative model for structure-based drug design with an emphasis on synthesizable outputs.
- Generates candidate molecules directly in 3D space conditioned on target structures
- Key claim: generation and synthesizability unified in one model
- The thread links highlights, the preprint, and open-source code
More from Research
- MIT Media Lab hosts ScienceClaw Hackathon to build 'internet of agents' for science — ProfBuehlerMIT · 2026-09-20
- 83k PTB trace downloads in a month: researcher warns RL agents may be reward hacking via HF lookups — maksym_andr · 2026-09-20
- Schmidhuber revisits history: 1971 deep network modeled the British economy — SchmidhuberAI · 2026-09-20
- Qwen researcher: human annotation may be noisier than auto-labeling — antoine_chaffin · 2026-09-20
- Retrieval eval datasets are error-prone; LLM relabeling proposed as fix — CShorten30 · 2026-09-20
- PhyFilter from Beihang and NTU lets sim-trained quadrupeds walk real terrain, in npj Robotics — jiqizhixin · 2026-09-20