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MolKGNN
MolKGNN PublicForked from LanceKnight/MolKGNN
MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. conformation-invariance 3. interpretability. MolKGNN uses a novel …
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AF2_GPCR_Kinase
AF2_GPCR_Kinase PublicForked from delalamo/af2_conformations
A series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2
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PTMPrediction
PTMPrediction PublicSupporting information for predicting and engineering post-translational modifcations using Rosetta
PureBasic 5
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FlexPepDockNCAA
FlexPepDockNCAA PublicOfficial repository for the manuscript "Rosetta Flexpepdock to predict peptide-MHC binding: an approach for non-canonical amino acids"
Roff 4
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bcl
bcl PublicForked from BCLCommons/bcl
The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The…
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- probabilities_design Public
meilerlab/probabilities_design’s past year of commit activity - ML_PLS_MHC_peptide_binding_pred Public Forked from sjiang29/ML_PLS_MHC_peptide_binding_pred
A machine learning application using PLS to predict binding affinity between MHC(A0201) and peptide containing NCAAs
meilerlab/ML_PLS_MHC_peptide_binding_pred’s past year of commit activity - PTMPrediction Public
Supporting information for predicting and engineering post-translational modifcations using Rosetta
meilerlab/PTMPrediction’s past year of commit activity - PLM_restraint Public
meilerlab/PLM_restraint’s past year of commit activity - AF2_GPCR_Kinase Public Forked from delalamo/af2_conformations
A series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2
meilerlab/AF2_GPCR_Kinase’s past year of commit activity - discovery-self-peptides-hypertension Public Forked from nbloodworth/discovery-self-peptides-hypertension
Official repository containing code, protocol capture, and files used to generate data for the manuscipt entitled "Discovery of post-translationally modified self-peptides that promote hypertension"
meilerlab/discovery-self-peptides-hypertension’s past year of commit activity - MolKGNN Public Forked from LanceKnight/MolKGNN
MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. conformation-invariance 3. interpretability. MolKGNN uses a novel molecular convolution to leverage the similarity of molecular neighborhood and kernels. It shows superior results in realistic drug discovery datasets.
meilerlab/MolKGNN’s past year of commit activity - Isolating-the-Impact-of-Post-Translational-Modification-on-MHC-Peptide-Binding-and-TCR-Engagement Public Forked from nbloodworth/Isolating-the-Impact-of-Post-Translational-Modification-on-MHC-Peptide-Binding-and-TCR-Engagement
Supplemental manuscript materials
meilerlab/Isolating-the-Impact-of-Post-Translational-Modification-on-MHC-Peptide-Binding-and-TCR-Engagement’s past year of commit activity
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