PEACCEL at EurIPS 2025 (Copenhagen): De-risking Generative Protein Design

EurIPS 2025, Copenhagen, December 2025. PEACCEL presented new research at EurIPS 2025, a NeurIPS-endorsed European conference bringing world-class generative AI closer to the European ecosystem.

See: https://eurips.cc/

Generative models for proteins are moving quickly from academic benchmarks toward real R&D workflows: targeted binder design, enzyme engineering, developability-aware candidate generation, and design–build–test–learn (DBTL) acceleration. However, one bottleneck remains under-addressed: evaluation.

For pharma R&D teams, the key question is not only “Can the model generate plausible structures?”, but:

  • Does it generate diverse candidates without collapsing?
  • Are candidates stable enough to be worth expensive downstream work?
  • Is generation efficiency acceptable when compute becomes a real budget line?

For investors, rigorous evaluation is equally central: it is a direct lever for derisking, repeatability, and time-to-value in a platform that will be judged on outcomes and scalability, not just novelty.

We introduce FrameBench: A Principled, Symmetry-Aware Evaluation of SE(3) Protein Generators.

See: https://openreview.net/forum?id=4sOs6ca1Tt

Core idea: FrameBench evaluates SE(3)-equivariant protein generators by making trade-offs explicit across three decision-critical dimensions:

  • Diversity (how broad and non-redundant the generated designs are)
  • Stability / domain validity (how plausible and usable designs are for downstream pipelines)
  • Compute-normalized efficiency (what you get per unit of compute, which matters in real industrial cycles)

In the work, we instantiate this framework to compare representative SE(3) protein generative approaches (including diffusion and flow-matching families) and show how FrameBench surfaces actionable trade-offs that are often obscured by single-number reporting.

FrameBench was presented at PriGM@EurIPS 2025 (Principles of Generative Modeling), a workshop focused on synthesizing foundational principles behind modern generative AI, exactly the type of venue where evaluation methodology and scientific rigor are central.

PriGM workshop: https://sites.google.com/view/prigm-eurips-2025/home Google Sites

This work reflects a team delivery across PEACCEL and our academic collaborators. We extend a warm thank-you to our partners across the USA, China and France for the sustained collaboration that made this result possible.

FrameBench is part of PEACCEL’s broader effort to make protein generation more predictable, more testable, and more deployable, so that generative models become reliable engines for discovery rather than research prototypes.
Concretely, we believe principled evaluation frameworks are a key step toward:

  • Reducing model selection risk in production discovery pipelines
  • Improving reproducibility across targets and design objectives
  • Aligning scientific metrics with business outcomes (time, cost, probability of success)

If you are:

  • a pharma/biotech R&D leader exploring generative protein design (or evaluating vendors/models), or
  • a VC/investor focused on AI-native drug discovery platforms with defensible methodology and scalable execution,

we would welcome a discussion.

For more information:

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com

PEACCEL at NeurIPS 2025: Epistasis-Aware AI for Drug Discovery

NeurIPS, San Diego, December 2025. PEACCEL presented new research on hypercube- constrained graph learning for protein fitness prediction, emphasizing constraint handling and epistasis modeling, two levers with direct impact on discovery timelines and hit quality.

See NeurIPS 2025 (San Diego) and the Constrained Optimization for ML (COML) Workshop: https://neurips.cc/virtual/2025/loc/san-diego/123294

  • Hypercube-Constrained Graph Learning to enforce smoothness only where biology supports it (i.e., constraint-aware learning over mutational neighborhoods).
  • Wavelet-denoised supervision to counter measurement noise and sparsity in sequence–fitness labels, boosting label-efficiency for low-N regimes common in early discovery.
  • Epistasis-aware prediction on discrete mutational spaces (Hamming hypercubes), improving generalization to unseen variants while respecting feasibility constraints relevant to downstream design.

  • Higher hit rates with fewer assays. Constraint-aware training and denoising reduce experimental burden while preserving accuracy on rugged, epistatic landscapes.
  • Faster iteration cycles. Semi-supervised learning leverages unlabeled variants accelerating prioritization before scale-up.
  • Better transfer to developability filters. Graph-structured outputs and calibrated constraints integrate cleanly with ADMET and safety heuristics.

This work was delivered with academic partners across Australia and the United States, reflecting a globally distributed R&D model aligned with pharma expectations for translational validation.

If you are exploring AI-driven drug discovery or protein design, we welcome a technical discussion.

Event links: NeurIPS 2025 (San Diego, Dec 2–7, 2025): neurips.cc

For more information:

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com
http://www.peaccel.com/

PEACCEL at ICML 2025 (Vancouver): Advancing Generative AI for Protein Design

In July 2025, PEACCEL presented new results at ICML 2025 in Vancouver, including two research contributions and two posters at the GenBio Workshop (Generative AI for Biology), a venue focused on the next generation of generative methods for proteins, RNAs, and small-molecule design.

What we presented

1) Diffusion Models with Group Symmetries for Biomolecule Generation
We explore how group symmetries can be built into diffusion models to better reflect the underlying structure of biomolecules, an important lever for improving sample efficiency, validity, and controllability in generative design.

Link: https://icml.cc/virtual/2025/51284

2) Benchmark of Diffusion and Flow-Matching Models for Unconditional Protein Structure Design
We provide a practical benchmark comparing diffusion and flow-matching approaches for unconditional protein structure generation, with an emphasis on decision-relevant tradeoffs for real-world R&D: robustness, design quality, diversity/novelty, and operational efficiency.

Link: https://icml.cc/virtual/2025/51228

Plus: Two posters accepted at the ICML 2025 GenBio Workshop, highlighting additional
results and perspectives on generative AI for biology.

Why this matters for drug discovery and drug design

Generative AI is increasingly central to biologics and protein engineering because it can:

  • Compress design cycles by generating plausible structural candidates earlier and at scale
  • Improve exploration of sequence–structure space beyond incremental local search
  • Provide more rigorous, comparable evidence when selecting model families (diffusion vs flow-matching) and determining where to invest engineering effort

Our focus is to make generative modeling more physically grounded (via symmetry-aware
methods) and more actionable (via transparent benchmarking), so discovery teams can make
faster, better-informed decisions.

A global research effort

These contributions were developed with academic collaborators across Germany, France, China, and India, eflecting a genuinely international, multidisciplinary collaboration.

Let’s discuss partnerships and strategic opportunities

If you are:

  • a pharma/biotech team evaluating generative protein design for discovery programs, or
  • a VC investing at the AI × Biology frontier

We welcome discussions on platform partnerships, codevelopment, and strategic financing.


ICML: https://icml.cc/Conferences/2025
GenBio Workshop: https://lnkd.in/gMcj83tx

For more information:

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com
http://www.peaccel.com/

Diffusion Models for Drug Discovery

🌐PEACCEL at the Cutting Edge of Biopharmaceutical Innovation: Generative AI, Diffusion Models, and Quantum Computing

🔬 PEACCEL unveiled its latest research on Diffusion Models in drug design, providing an in-depth analysis of 56 cutting-edge models and their interconnections. These models, including Score-based Generative Models (SGM) and Denoising Diffusion Probabilistic Models (DDPM), are revolutionizing the design of proteins, peptides, and small molecules. We critically examine the role of E(3) and SE(3) equivariance and symmetry in advancing these methodologies.

PEACCEL’s pioneering work positions it as a leader at the forefront of technology, combining the transformative power of Generative AI, Diffusion Models, and Quantum Computing. These advancements are unlocking unprecedented opportunities for pharmaceutical companies and venture capitalists eager to invest in the next wave of biopharmaceutical breakthroughs.

🤝 For partnerships or investment opportunities, connect with PEACCEL and be part of the future of healthcare innovation.

For more information: https://arxiv.org/abs/2501.02680

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com
http://www.peaccel.com/

PEACCEL – Shaping the Future of Quantum Pharma™

🌐 PEACCEL’s Quantum Breakthrough in Biopharmaceutical Discovery Published in Quantum Information Processing (Springer Nature).

We’re thrilled to announce that our pioneering research paper on Quantum Computing for biologics has been published in Quantum Information Processing! This milestone marks a significant leap forward in pharmaceutical discovery, showcasing the transformative potential of Quantum Machine Learning (QML) in real-world applications.

🧬 The Quantum Leap for Biologics Development

We applied Quantum Support Vector Machine (up to 14 qubits) to classify peptides as hemolytic or non-hemolytic—a critical task with life-saving implications. 

Our work paves the way for faster, safer, and more effective biologics, transforming patient care worldwide.

🔍 Collaborative Excellence

This groundbreaking work was conducted in collaboration with the University of Western Australia’s Quantum Physics and Computing team, under the leadership of Prof. Jingbo Wang.
For more information: https://doi.org/10.1007/s11128-024-04540-5

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com
http://www.peaccel.com/

Quantum biologics discovery in healthcare can save many lives

We’re thrilled to announce PEACCEL’s pioneering paper in the realm of Quantum Computing for biologics, marking a significant leap forward in pharmaceutical discovery. Our cutting-edge research, conducted in collaboration with the University of Western Australia’s esteemed Quantum Physics and Computing team – Shengxin Zhuang, John Tanner, Yusen Wu, under the great leadership of Prof Jingbo Wang, Ass. Prof Du Huynh, and Ass. Prof Weil Liu – demonstrates the untapped potential of Quantum Machine Learning (QML) in the biopharmaceutical industry.

🌐 Quantum Advantages in Computational Biology 🌐

This research underlines the significant, yet largely untapped, advantages of quantum computing in the field of computational biology. By demonstrating that QSVM can exceed the performance of classical machine learning models, we provide empirical evidence and hope for quantum advantages in real-world applications, particularly in developing safer therapeutic solutions.

🔬 Why This Matters for Pharma 🔬

In our study, we applied the quantum support vector machine (QSVM, up to 14 Qubits) to a crucial task: classifying peptides as either hemolytic or non-hemolytic. According to the French national health database, 160 drugs have been shown to induce autoimmune hemolytic anemia for the period 2012-2018, and  3,371 cases of Drug Induce Autoimmune Hemolytic anemia (DI-AIHA) were recorded (https://doi.org/10.1182/blood-2022-157730). 1% wrong class assignment means more human deaths by hemolysis. A 1% gain in accuracy in healthcare can save many lives.

The implications of this work for the pharmaceutical industry are profound. We can harness the quantum leap to expedite the development of novel biologics and transform patient care worldwide.

For more information: https://arxiv.org/abs/2402.03847

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com
http://www.peaccel.com/

Revolutionizing Biologics Drug Discovery with AI: A Leap Forward with PEACCEL and Google Cloud

We’re thrilled to share an exciting milestone at PEACCEL – our disruptive AI discovery platform for biologics is setting new benchmarks in the pharmaceutical industry. By unlocking previously inaccessible spaces, we are identifying novel, life-changing drugs that were only possible in nature 1% of the time. Imagine the potential when we can screen 1 billion molecules in a single day!

🌐 A Game-Changing Collaboration: PEACCEL & Google Cloud 🌐

Our journey has taken an exhilarating turn as we were handpicked to join the Google Startup Program. This collaboration is not just an endorsement of our innovative approach; it’s a catalyst for exponential growth and impact. Here’s what this means for the pharmaceutical industry:

  1. Massive Scale Screening: From millions to over a billion molecules per day, pushing the boundaries of drug candidate identification from good to the BEST.
  2. Industrial Scale AI: Our platform’s scalability is now supercharged, ready for real-world applications at an industrial level.
  3. Unprecedented Computing Power: Access to a vast array of GPUs, expanding our computing capacity to accelerate drug development, reduce costs, and bring life-saving treatments to market faster.
  4. Robust Infrastructure & Tools: Leveraging Google’s state-of-the-art technology to enhance our research capabilities, foster innovation and drive forward the future of drug discovery.
Continue reading “Revolutionizing Biologics Drug Discovery with AI: A Leap Forward with PEACCEL and Google Cloud”

Unlocking the Future of Pharma: PEACCEL’s Breakthrough AI Platform for Biologics Wins French DeepTech Label.

We are thrilled to announce that PEACCEL has been awarded the prestigious French DeepTech label by BPI France, the public investment bank dedicated to innovation. This recognition is a testament to our commitment to pushing the boundaries of biotechnology with our groundbreaking AI discovery platform for Biologics.

Continue reading “Unlocking the Future of Pharma: PEACCEL’s Breakthrough AI Platform for Biologics Wins French DeepTech Label.”

Epistasis is a crucial issue: Non-Linear responses can hinder drug target identification or optimization of industrial production processes

Protein engineering in the context of metabolic engineering has a growing impact in industrial biotechnology and synthetic biology. Epistasis is a crucial issue: Non-Linear responses can hinder drug target identification or optimization of industrial production processes.

Discover our Editorial for a special issue of Frontiers in Molecular Biosciences: Machine learning, epistasis, and protein engineering: From sequence-structure-function relationships to regulation of metabolic pathways VOL I.

Read more: https://www.readcube.com/articles/10.3389/fmolb.2022.1098289

For more information:

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com
http://www.peaccel.com/

Maximize your next value creation opportunity for peptides, proteins, enzymes, antibodies & VHHs. Meet Peaccel’s delegates

Maximize your next value creation opportunity for peptides, proteins, enzymes, antibodies & VHHs.  Stand out of the reach of your competitors.

EPI_technology™ (Epistasis Processing Inside): Unique on the market, better & quicker for protein design & optimization  

Meet Peaccel’s delegates Jean-Marie Vallet and Jacob Weintraub at the Synthetic Biology-Based Therapies Summit, December 14-15 2022, Boston, US: https://synthetic-biology-therapeutics-summit.com

For more information:

PEACCEL
Making the world disease free
Contact: AI-team@peaccel.com
http://www.peaccel.com/