Research notes
What the field is writing about its own models.
Primers, benchmarks and post-mortems from the open science community, indexed next to the models and datasets they describe. Every link goes to the original — we index, we don't republish.
- 47
- Notes indexed
- 12
- Subjects covered
- 5
- Years spanned
2026
8 notes
ECMWF's AI forecasting model is open source: now let's make it easy to run.
Open source models are great but sometimes hard to run. This blog post provides tutorials to run ECMWF new AI weather forecast model, AIFS Single 2,0, on any GPU using Hugging Face Jobs or your own hardware.
Putting DoctoBERT to Work A Practical Guide
Doctolib Research Lab released a pretrained medical encoder. Here is how to run it, and how to finetune it for the tasks you actually have.
Where Does the Signal Live?
A Web Data Recipe for Medical Encoder Pretraining Domain-specific encoders like medical ones are mostly pretrained on small, hand-curated corpora. What if we built one from the heterogeneous web instead?
Tropical Quivers for Modern AI: A Guided Tour of a Research Program
A tour of tropical quiver representations and how their combinatorial structure connects to modern AI architectures.
Surface Orders, Cyclic Time, and a Concrete Hilbert–Pólya Framework
A concrete construction toward the Hilbert–Pólya conjecture using surface orders and cyclic-time symmetry as a route to the Riemann Hypothesis.
ThermoGFN-IF for Catalysis
A protein sequence design model fine-tuned with GFlowNets for thermostable and kinetically-aware enzyme engineering.
Did GPT-5.2 Make a Breakthrough Discovery in Theoretical Physics?
GPT-5.2 conjectured a compact formula for single-minus gluon tree amplitudes previously assumed to be zero for 40 years — a striking example of AI contributing to original theoretical physics.
A Comprehensive Introduction to AI for Proteins (2026)
A thorough primer on the state of AI for protein science — covering structure prediction, protein language models, generative design, and the full open-source model landscape.
2025
20 notes
SAIR: Accelerating Pharma R&D with AI-Powered Structural Intelligence
How SandboxAQ's SAIR dataset of 1M+ protein–ligand structures is enabling AI-powered drug discovery with unprecedented structural coverage.
Boltz-2: State of the Art Structure and Binding Affinity Prediction
Boltz-2 outperforms AlphaFold3 on antibody-antigen interfaces and sets a new state of the art for protein-ligand binding affinity prediction.
Boltzdesign1: Designing De Novo Binders to More Than Just Proteins
BoltzDesign1 extends de novo binder design beyond protein targets to small molecules, RNA, DNA, and metal ions.
OpenFold3 and The Future of Protein Folding
OpenFold3 is a fully open-source, commercially available AlphaFold3 alternative backed by the OpenFold Consortium — enabling unrestricted biomolecular structure prediction.
IntFold: A New Best Structure Prediction Protocol
IntFold establishes a new state-of-the-art protocol for biomolecular complex structure prediction, setting records across standard benchmarks.
Chai-1r: AlphaFold3 Level Performance, Now Completely Open Source
Chai-1r achieves AlphaFold3-level accuracy on protein-protein and antibody-antigen complexes with fully open weights and no usage restrictions.
Open-R1: A Fully Open Reproduction of DeepSeek-R1
A fully open reproduction of DeepSeek-R1's math reasoning training pipeline — data, code, and models — bringing transparent reasoning model training to the community.
Physics Informed Neural Networks (PINNs): An Intuitive Guide
A clear, intuitive walkthrough of how PINNs embed physical laws directly into neural network training — bridging traditional PDE-based modeling with data-driven deep learning.
AI for Food Allergies
Applying AI to understand and predict food allergies.
AI for PDEs
Exploring AI approaches to solving partial differential equations.
Are Mini Proteins the Next Antibodies?
Examining the therapeutic potential of computationally designed miniproteins as a next-generation alternative to traditional antibody drugs.
Computational De Novo Design of Antibodies and Nanobodies
A practical guide to designing antibody VHHs and scFvs de novo using RFdiffusion and ProteinMPNN, from target epitope to validated sequence.
Constellation Fusion Challenge
A challenge for advancing fusion energy through AI.
Eve Bio: Mapping the Pharmone Drug Interaction
Understanding drug interactions through AI-powered pharmacogenomics.
GDP: Generative Design for Proteins
Generative models for protein design and engineering.
Making Antibody Embeddings and Predictions
How to create and use antibody embeddings for therapeutic applications.
Predicting Antibody Properties & Developability
ML approaches for predicting key biophysical properties of therapeutic antibody candidates — stability, solubility, and immunogenicity — before wet-lab validation.
PromoterGPT
AI-powered promoter sequence design and analysis.
SARLO-80: SAR Optic Language Dataset
Introducing a large-scale dataset for SAR and optical remote sensing with language descriptions.
The ExpansionRx OpenADMET Blind Challenge
A blind challenge for predicting ADMET properties in drug discovery.
2024
7 notes
LeMaterial: An Open-Source Initiative to Accelerate Materials Discovery
Introducing LeMaterial, a community effort to build the largest open database of materials and accelerate AI-driven discovery of new compounds and structures.
Computational De Novo Miniproteins As Therapeutics
How computationally designed de novo miniproteins and minibinders are being developed as a new class of targeted therapeutics.
Computational Protein–Protein Interaction Screening
A practical guide to screening for protein–protein interactions (PPIs) as drug discovery targets using structure prediction and ML scoring.
Boltz-1: AlphaFold3 Level Performance, Truly Open Source
Boltz-1 from MIT achieves AlphaFold3-level accuracy on protein and protein-ligand structure prediction with no restrictions on commercial use or input types.
A New Era in Multistep Enzyme Design
Exploring generative AI approaches for designing multistep enzymatic pathways for biosynthesis and biocatalysis.
A Guide to Designing New Functional Proteins
A comprehensive guide to improving protein function, stability, and diversity using generative AI and ESM-2.
RFDiffusion Potentials
Using RFDiffusion with custom guiding potentials to steer protein structure generation toward desired functional properties.
2023
11 notes
Predicting the Effects of Mutations on Protein Function with ESM-2
Using ESM-2 protein language model embeddings to score and predict the functional impact of point mutations.
Faster Persistent Homology Alignment and Protein Complex Clustering
Accelerating persistent homology alignment with ESM-2 embeddings and persistence landscapes for protein complex clustering.
Clustering Protein Complexes using Persistent Homology
Combining persistent homology with ESM-2 fine-tuning for protein–protein interaction network prediction and complex clustering.
ESM-2 for Generating and Optimizing Peptide Binders
Generating and optimising peptide binders for target proteins using ESM-2 embeddings and directed evolution.
Persistent Homology Alignment: Replacing Multiple Sequence Alignments
Replacing traditional multiple sequence alignments with ESM-2 embeddings and persistent homology for structure-aware protein comparison.
In Silico Directed Evolution of Protein Sequences with ESM-2
Using ESM-2 and EvoProtGrad to simulate directed evolution in silico, optimising protein sequences for target properties.
QLoRA for ESM-2 and Post Translational Modification Site Prediction
Applying QLoRA fine-tuning to ESM-2 for accurate prediction of post-translational modification sites across protein sequences.
Estimating the Intrinsic Dimension of Protein Sequence Embeddings
Measuring the intrinsic dimensionality of ESM-2 protein embeddings to understand the geometric structure of protein sequence space.
Predicting Protein–Protein Interactions Using a Protein Language Model
Using ESM-2 embeddings and linear sum assignment to predict protein–protein binding partners at scale.
ESMBind Ensemble Models
Ensemble methods for ESMBind models to improve binding site prediction accuracy and robustness across protein families.
ESMBind: Low Rank Adaptation of ESM-2 for Protein Binding Site Prediction
Fine-tuning ESM-2 with LoRA adapters to predict protein binding sites with high accuracy and parameter efficiency.