- Pennsylvania, United States
- https://orcid.org/0000-0003-0084-3975
- in/veda-sheersh-boorla-a9a0a783
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chemprop Public
Forked from chemprop/chempropMessage Passing Neural Networks for Molecule Property Prediction
Python Other UpdatedMar 21, 2024 -
ConPLex Public
Forked from samsledje/ConPLexAdapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.
Python MIT License UpdatedFeb 27, 2024 -
tf-bind-transformer Public
Forked from lucidrains/tf-bind-transformerA repository with exploration into using transformers to predict DNA ↔ transcription factor binding
Python MIT License UpdatedDec 19, 2023 -
CatPred Public
Forked from DeepGraphLearning/torchdrugMachine Learning models for in vitro enzyme kinetic parameter prediction
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streamlit-example Public
Forked from streamlit/streamlit-exampleExample Streamlit app that you can fork to test out share.streamlit.io
Python UpdatedOct 28, 2023 -
kcat_prediction Public
Forked from AlexanderKroll/kcat_predictionJupyter Notebook MIT License UpdatedSep 21, 2023 -
SARSr-CoV_homolog_survey Public
Forked from jbloomlab/SARSr-CoV_homolog_surveySurvey of ACE2 binding specificities among SARS-related CoV homologs
Jupyter Notebook UpdatedApr 25, 2023 -
schrodinger-md-automation Public
scripts to automate schrodinger simulations
Python UpdatedFeb 26, 2023 -
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DiffDock Public
Forked from gcorso/DiffDockImplementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Python MIT License UpdatedNov 25, 2022 -
molgraph Public
Forked from akensert/molgraphGraph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
Python MIT License UpdatedSep 20, 2022 -
nn4dms Public
Forked from gitter-lab/nn4dmsNeural networks for deep mutational scanning data
Jupyter Notebook MIT License UpdatedSep 4, 2022 -
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KM_prediction Public
Forked from AlexanderKroll/KM_predictionJupyter Notebook MIT License UpdatedJun 20, 2022 -
PSG-BAR Public
Forked from diamondspark/PSG-BARThis is the code for our paper Ligand Binding Prediction using Protein Structure Graphs and Residual Graph Attention Networks
Jupyter Notebook UpdatedApr 29, 2022 -
DeepConv-DTI Public
Forked from GIST-CSBL/DeepConv-DTIDeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences
Python GNU General Public License v3.0 UpdatedFeb 14, 2022 -
DeepFRI Public
Forked from flatironinstitute/DeepFRIDeep functional residue identification
Python BSD 3-Clause "New" or "Revised" License UpdatedFeb 9, 2022 -
DLKcat Public
Forked from SysBioChalmers/DLKcatDeep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction
Python UpdatedOct 18, 2021 -
Enzyme-Promiscuity-Prediction Public
Forked from deeprob/Enzyme-Promiscuity-PredictionJupyter Notebook UpdatedJul 31, 2021 -
ThioesteraseEnzymeSpecificity Public
Forked from deeprob/ThioesteraseEnzymeSpecificityJupyter Notebook UpdatedJun 25, 2021 -
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EnzymePromiscuityClassification Public
Forked from Vik-u/EnzymePromiscuityClassificationUpdatedApr 2, 2021 -
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Protein-InDelMaker Public
PyRosetta based package to make PDB files for specified mutations, insertions and deletions
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biopandas Public
Forked from BioPandas/biopandasWorking with molecular structures in pandas DataFrames
Python BSD 3-Clause "New" or "Revised" License UpdatedOct 22, 2020 -
protease-gcnn-pytorch Public
Forked from Nucleus2014/protease-gcnn-pytorchJupyter Notebook UpdatedOct 4, 2020 -
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InterMol Public
Forked from shirtsgroup/InterMolConversion tool for molecular simulations
Python MIT License UpdatedSep 24, 2020 -
PISA_parser Public
Parse protein interface data from the PDBe PISA server