small-molecule

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.

Can we generate liquidity & independent price signal for computationally-derived small-molecules at scale?

Refinement and analysis of structures against single crystal diffraction data

Open-source research pipeline for small-molecule chemical patent analysis, FTO evidence triage, claim mapping, OCSR and counsel-supervised reports. Not legal advice.

Open-source R&D twin for early small-molecule lead optimization with cheminformatics, Rowan predictions, validation, visualization, and Pareto ranking.

biosynthetic-gene-clusters toolkit

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…

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.

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).

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.