osmoai / publicationsLinks
Repository for code and data related to Osmo publications.
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- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆132Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆99Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
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- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆82Updated last year
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆205Updated 11 months ago
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- pre-training BERT with molecular data☆50Updated 4 years ago
- a multi-property optimization method.☆32Updated last year
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆83Updated 2 years ago
- Obtain and organize all feasible fragmentation of molecular methods☆35Updated 2 years ago
- Transformer-based model for chemical reactions☆93Updated 3 weeks ago
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- Predicting tandem mass spectra from molecules☆130Updated 3 weeks ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆126Updated 2 months ago
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- SELFormer: Molecular Representation Learning via SELFIES Language Models☆105Updated last year
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 9 months ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆65Updated last year
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- Official implementation of SketchMol.☆32Updated 11 months ago
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