conftrace_

Connor W. Coley

11 papers · 2022–2025 · 3 conferences · across top CS/AI conferences

Achievements

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🌍 Conference Polyglot (3) 🐝 Cross-Pollinator (12) 👑 Triple Crown 💎 Century Club (11)

Conferences

ICLR (7) ICML (3) NIPS (1)

Top co-authors

Keir Adams (4) Wenhao Gao (4) Runzhong Wang (3) Mrunali Manjrekar (2) Jimeng Sun (1) Lagnajit Pattanaik (1) Jianzhu Ma (1) Bozhao Nan (1) Yuanqi Du (1) Tianfan Fu (1)

Keywords

chemical reaction (1) graph search (1) bidirectional search (1) retrosynthetic analysis (1) synthesis planning (1)

Papers

Procedural Synthesis of Synthesizable Molecules ICLR 2025 Neural Graph Matching Improves Retrieval Augmented Generation in Molecular Machine Learning ICML 2025 DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra ICML 2025 ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design ICLR 2025 Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks ICLR 2024 Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search NIPS 2024 Projecting Molecules into Synthesizable Chemical Spaces ICML 2024 Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design ICLR 2023 Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design ICLR 2022 Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations ICLR 2022 Differentiable Scaffolding Tree for Molecule Optimization ICLR 2022