Structure-based drug design with equivariant diffusion models A Schneuing, C Harris, Y Du, K Didi, A Jamasb, I Igashov, W Du, ...
Nature Computational Science 4 (12), 899-909, 2024
134 2024 Biomolecular condensate phase diagrams with a combinatorial microdroplet platform WE Arter, R Qi, NA Erkamp, G Krainer, K Didi, TJ Welsh, J Acker, ...
Nature Communications 13 (1), 7845, 2022
40 2022 Benchmarking Generated Poses: How Rational is Structure-based Drug Design with Generative Models? C Harris, K Didi, AR Jamasb, CK Joshi, SV Mathis, P Lio, T Blundell
arXiv preprint arXiv:2308.07413, 2023
38 2023 Assessing antibody and nanobody nativeness for hit selection and humanization with AbNatiV A Ramon, M Ali, M Atkinson, A Saturnino, K Didi, C Visentin, S Ricagno, ...
Nature Machine Intelligence 6 (1), 74-91, 2024
27 2024 MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery T Siebenmorgen, F Menezes, S Benassou, E Merdivan, K Didi, ...
Nature Computational Science, 1-12, 2024
21 2024 A framework for conditional diffusion modelling with applications in motif scaffolding for protein design K Didi, F Vargas, SV Mathis, V Dutordoir, E Mathieu, UJ Komorowska, ...
arXiv preprint arXiv:2312.09236, 2023
13 2023 Evaluating representation learning on the protein structure universe AR Jamasb, A Morehead, CK Joshi, Z Zhang, K Didi, S Mathis, C Harris, ...
ArXiv, arXiv: 2406.13864 v1, 2024
8 2024 Posecheck: Generative models for 3d structure-based drug design produce unrealistic poses C Harris, K Didi, A Jamasb, C Joshi, S Mathis, P Lio, T Blundell
NeurIPS 2023 Generative AI and Biology (GenBio) Workshop, 2023
8 2023 DEFT: Efficient Finetuning of Conditional Diffusion Models by Learning the Generalised A Denker, F Vargas, S Padhy, K Didi, S Mathis, V Dutordoir, R Barbano, ...
arXiv preprint arXiv:2406.01781, 2024
5 2024 Abnativ: vq-vae-based assessment of antibody and nanobody nativeness for engineering, selection, and computational design A Ramon, A Saturnino, K Didi, M Greenig, P Sormanni
5 2023 DEFT: Efficient Fine-tuning of Diffusion Models by Learning the Generalised h-transform A Denker, F Vargas, S Padhy, K Didi, SV Mathis, R Barbano, V Dutordoir, ...
NeurIPS, 2024
3 2024 Flexible small-molecule design and optimization with equivariant diffusion models C Harris, K Didi, A Schneuing, Y Du, AR Jamasb, MM Bronstein, ...
ICLR 2023-Machine Learning for Drug Discovery workshop, 2023
3 2023 High resolution and multidimensional protein condensate phase diagrams with a combinatorial microdroplet platform WE Arter, R Qi, NA Erkamp, G Krainer, K Didi, TJ Welsh, J Acker, ...
bioRxiv, 2020.06. 04.132308, 2020
3 2020 RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design R Anand, CK Joshi, A Morehead, AR Jamasb, C Harris, SV Mathis, K Didi, ...
arXiv preprint arXiv:2406.13839, 2024
2 2024 Rna-frameflow for de novo 3d rna backbone design R Anand, CK Joshi, A Morehead, AR Jamasb, C Harris, SV Mathis, K Didi, ...
ICML 2024 Workshop on Structured Probabilistic Inference {\&} Generative …, 2024
2 2024 BioModelsML: Building a FAIR and reproducible collection of machine learning models in life sciences and medicine for easy reuse DD Tiwari, N Hoffmann, K Didi, S Deshpande, S Ghosh, TVN Nguyen, ...
bioRxiv, 2023.05. 22.540599, 2023
2 2023 AbNatiV: VQ-VAE-based assessment of antibody and nanobody nativeness for hit selection, humanisation, and engineering A Ramon, M Ali, M Atkinson, A Saturnino, K Didi, C Visentin, S Ricagno, ...
bioRxiv, 2023.04. 28.538712, 2023
2 2023 BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery PS John, D Lin, P Binder, M Greaves, V Shah, JS John, A Lange, P Hsu, ...
arXiv preprint arXiv:2411.10548, 2024
1 2024 Dynamics-Informed Protein Design with Structure Conditioning UJ Komorowska, SV Mathis, K Didi, F Vargas, P Lio, M Jamnik
The Twelfth International Conference on Learning Representations, 2024
1 2024 High Resolution Biomolecular Condensate Phase Diagrams with a Combinatorial Microdroplet Platform WE Arter, R Qi, NA Erkamp, G Krainer, K Didi, TJ Welsh, J Acker, ...
1 2020