Ångström AI logo

Ångström AI

Gen AI molecular simulations that reproduce wetlab results

Summer 2024active2024Website
AI-powered Drug DiscoveryArtificial IntelligenceBiotechDrug discoveryAI
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Report from 29 days ago

What do they actually do

Ångström AI runs invite-only, research-grade molecular simulations that combine a Cambridge-origin physics model (the MACE family) with generative AI samplers to speed up sampling while aiming to keep quantum-level accuracy. In a preprint, they report lab-comparable (“sub-chemical”) accuracy for hydration/solvation free energies using a MACE model and an alchemical free-energy protocol, and they share short demo videos showing fast trajectory generation on benchmark systems (arXiv; YC launch; Ångström AI home).

There is no self-serve product today. Teams request a demo, provide a molecular system (e.g., small molecule in solvent or a protein–ligand pair), and Ångström runs the pipeline: generative models propose configurations that are reweighted/validated against the MACE-based physics model, and the team returns estimates like free energies, likely binding poses, hydration information, and example trajectories via reports and discussions (Ångström AI home; YC company page; arXiv).

Who are their target customer(s)

  • Medicinal chemists in small‑molecule discovery: They must choose which compounds to synthesize and test and spend time/money on wet‑lab assays to confirm binding, solubility, or free‑energy changes. They need faster, reliable predictions to triage ideas (arXiv; YC launch).
  • Computational‑chemistry teams running in‑silico screening and validation: Their physics‑based simulations can be accurate but are often too slow or costly to run across hundreds or thousands of compounds; they need higher throughput without losing accuracy (arXiv; YC launch).
  • Preclinical/translational scientists moving leads toward animal studies: They need predictions they trust enough to reduce or replace certain wet‑lab assays, with systematic validation and reproducibility to support decisions (Ångström AI home; YC launch).
  • Contract research organizations (CROs) and assay providers: They want virtual assays that can substitute parts of experimental workflows without unpredictable compute costs or added validation burdens; they need a predictable, validated service rather than ad‑hoc demos (Ångström AI home; YC company page).
  • Heads of early‑discovery/R&D at mid‑size pharma: They must scale trustworthy simulations across programs with predictable cost and turnaround. They need proof of repeatability, cost‑per‑prediction, and integration with existing enterprise workflows (YC launch; arXiv).

How would they acquire their first 10, 50, and 100 customers

  • First 10: Run tightly scoped pilots with known researchers and early pharma contacts, executing analyses end‑to‑end and delivering written reports and raw data with agreed success criteria audited against lab data; reference the preprint and demo videos when setting metrics and offer co‑authored validation notes if targets are met (Ångström AI home; arXiv; YC launch).
  • First 50: Standardize intake, deliverables, and validation checklists to convert pilots into repeatable paid “validation packs” for med‑chem and comp‑chem teams; publish a few vetted case studies and ask successful customers for referrals to adjacent programs and CRO partners (arXiv; YC launch).
  • First 100: Productize fixed‑scope virtual assays with standard reports and onboarding, hire sales/customer success to manage enterprise pilots, and build integrations to fit into existing in‑silico workflows; sign a few CRO/platform partnerships to resell or embed the validated service while continuing to publish validation and operational metrics (Ångström AI home; YC launch; arXiv).

What is the rough total addressable market

Top-down context:

Large‑pharma R&D spend was about $138B in 2022, and analyses estimate preclinical/development at roughly 31% of total R&D, implying ~$30–45B annually in discovery/preclinical budgets that could be affected if simulations replace wet‑lab work (IQVIA; CBO).

Bottom-up calculation:

Near‑term, practical TAM combines today’s in‑silico drug‑discovery market (~$2.8–3B in 2023) and the preclinical CRO market (~$6.8–7.8B), for roughly $10–11B in current spend addressable by virtual assays/high‑accuracy simulations (PSMarketResearch; Fortune Business Insights; Grand View Research).

Assumptions:

  • Preclinical share (≈31%) is a reasonable proxy for discovery+preclinical budgets across large pharma; smaller biotechs may differ (CBO).
  • Market‑research ranges for 2023 are representative and not double‑counted when summing in‑silico software/services and preclinical CRO spend.
  • Ångström initially targets buyers already paying for computational work or outsourced preclinical services; broader penetration depends on validation, cost, and integration.

Who are some of their notable competitors

  • Schrödinger: Established provider of physics‑based simulation tools (e.g., FEP+) widely used for binding free‑energy predictions; offers software, services, and validated workflows competing for the same med‑chem/comp‑chem budgets.
  • XtalPi: Hybrid AI+physics company with high‑accuracy free‑energy tools (XFEP) and lab automation; sells end‑to‑end discovery services and enterprise programs that overlap with Ångström’s target use cases.
  • Atomwise: AI‑first virtual screening (AtomNet) to triage massive libraries for hit discovery; competes for early prioritization budgets, emphasizing throughput over physics‑grade free‑energy outputs.
  • Exscientia: Combines generative design with automated DMTA loops to run integrated discovery programs; overlaps where customers seek rapid design/optimization that Ångström aims to inform via simulations.
  • DeepMind / Google research: Not a commercial vendor but a research leader (e.g., AlphaFold and ML force fields/dynamics) that shapes expectations and may enable competing lab‑grade simulation methods in the field.