New integrations bring molecular modeling, cheminformatics, and scientific knowledge platforms directly into ELaiN workflow environment.
Sapio Sciences announced the availability of third-party scientific applications and platforms integrated directly into Sapio ELaiN, its third-generation AI lab notebook. The integrations bring established scientific solutions used across biopharma research and development into the ELaiN environment.
The partner ecosystem enables ELaiN’s co-scientist capabilities by incorporating specialist informatics methods, research data, and domain-specific scientific applications into scientific workflows. Scientists can apply validated scientific applications without switching systems or duplicating effort, keeping analysis, reasoning, and results within a single experimental record.
With ELaiN, scientists describe in natural language what they want to accomplish, and the platform helps design and drive the workflow, coordinating access to integrated partner scientific applications, platforms, and models when needed.
“The future of scientific discovery lies in ecosystems, not silos. By integrating the most powerful tools and models directly into ELaiN, we help scientists stay focused, move faster, and uncover insight without friction,” says Andrew Wyatt, chief growth officer at Sapio Sciences, in a release.
Launch Partners Include AI Infrastructure and Molecular Modeling Platforms
At launch, integrations include AI infrastructure and foundation models from AWS and NVIDIA. AWS integration with Amazon Bedrock enables access to foundation models that support in-lab decision-making and scientific reasoning. NVIDIA BioNeMo integration includes DiffDock and MolMIM NVIDIA NIM microservices for structure-based design within ELaiN-powered environments.
Molecular modeling and structure-based design integrations include Cadence Molecular Sciences (OpenEye), which extends ELaiN with cheminformatics, molecular modeling, and cloud-based discovery tools for ligand and structure-based research. CCDC (Cambridge Crystallographic Data Centre) supports structure-based design through integration of GOLD, its protein-ligand docking software.
Optibrium integrates predictive modeling capabilities from its StarDrop discovery platform into ELaiN, enabling scientists to optimize compounds and visualize multi-parameter data in experimental context. Schrödinger’s physics-based modeling and molecular simulation tools are available via ELaiN for structure-guided design methods. Simulations Plus enables in silico compound evaluation and drug metabolism assessment directly from ELaiN-driven workflows.
Scientific Knowledge and Biological Insight Capabilities
Scientific knowledge, chemistry, and semantic discovery integrations include Elsevier, which integrates predictive retrosynthesis, semantic enrichment, and ontology-driven discovery into ELaiN. This enables scientists to uncover insights, accelerate synthesis planning, and assess synthetic accessibility.
For biological insight and predictive analytics, MedBioInformatics brings disease genomics and phenotype association data into ELaiN through DISGENET, supporting target discovery and disease association studies alongside experimental records.
ELaiN applies the same security, auditability, and data governance controls that underpin Sapio’s validated LIMS and lab informatics platform. All interactions with partner scientific applications, platforms, and models run inside the customer’s secure environment, and ELaiN only accesses tools that the laboratory is already licensed to use.
Unlike public AI services, ELaiN uses controlled integrations, including AWS Bedrock for managed foundation models, so scientific data and intellectual property remain within governed infrastructure. Each interaction is recorded in the experiment record, preserving provenance, traceability, and data lineage required in regulated research environments.
“These integrations move ELaiN beyond documentation and into the realm of scientific thinking. Each partner adds meaningful capability to the scientist’s workflow, giving them one place to use the specialist tools they trust most,” says Wyatt in a release.
Integrations to key scientific applications and platforms from these partners are available to ELaiN users, with additional integration from these and other partners planned through 2026.
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