LLM for Drug Editing, ICLR 2024
A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
Prediction of Protein-Small molecule binding affinities
Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.
United Formula Annotation (UFA) for LC-HRMS data
Composite Spectra Analysis
MolMeDB is an open chemistry database about interactions of molecules with membranes.
ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.
Refinement and analysis of structures against single crystal diffraction data
Can we generate liquidity & independent price signal for computationally-derived small-molecules at scale?
Open-source R&D twin for early small-molecule lead optimization with cheminformatics, Rowan predictions, validation, visualization, and Pareto ranking.
Abbisko Therapeutics (上海和誉生物医药科技有限公司) is a Shanghai-based clinical-stage biopharmaceutical company focused on the discovery and development of innovative small-molecule therapeutics, primarily in oncology. It was surfaced as a portfolio company of Qiming Venture Partners and added to the API Evangelist network as a stub.
Autobahn Therapeutics is a clinical-stage biopharmaceutical company based in San Diego, California, developing regenerative medicines for central nervous system (CNS) disorders. The company pairs a proprietary brain-targeting chemistry platform - which creates orally administered small-molecule prodrugs designed to cross the blood-brain barrier…
biosynthetic-gene-clusters toolkit
Avicenna Biosciences, Inc. is a Durham, North Carolina drug development company using machine learning-enhanced medicinal chemistry to accelerate the lead-to-candidate optimization process for small molecule drug development.
kechowpharma — Kechow Pharma (Shanghai Kezhou Pharmaceutical Co., Ltd.) is a clinical-stage biopharmaceutical company founded in 2014 and headquartered in Shanghai's Zhangjiang High-Tech Park.
Inductive Bio is an AI-powered virtual lab for small molecule drug discovery, based in New York and founded in 2022 by Josh Haimson and Ben Birnbaum (both formerly of Flatiron Health).
Add a description, image, and links to the small-molecule topic page so that developers can more easily learn about it.
To associate your repository with the small-molecule topic, visit your repo's landing page and select "manage topics."