neksa
AI/ML-driven Drug Discovery at VantAI. Leading Structural Computational Biology where we learn from evolution to design induced proximity drugs
VantAINew York City
Pinned Repositories
data-science-ipython-notebooks
Data science Python notebooks: Deep learning (TensorFlow, Theano, Caffe, Keras), scikit-learn, Kaggle, big data (Spark, Hadoop MapReduce, HDFS), matplotlib, pandas, NumPy, SciPy, Python essentials, AWS, and various command lines.
elementary-functions
Online Supplementary Materials and scripts for the Physical Biology paper on proteins and their elementary functions
interactome
Structural Interactome pipeline
mlcourse_open
OpenDataScience Machine Learning course (yet Russian-only)
mutagene
Python library and package for mutational analysis
mutagene-demo
openfda-faers
FAERS Adverse Reaction Events database and OpenFDA API
protein-sequence-motifs
Tools to derive prototypical sequence motifs of functional and structural protein units of sub-domain size
reproducible-research-guidelines
Guidelines for accountable and reproducible computational research
neksa's Repositories
neksa/openfda-faers
FAERS Adverse Reaction Events database and OpenFDA API
neksa/reproducible-research-guidelines
Guidelines for accountable and reproducible computational research
neksa/mutagene
Python library and package for mutational analysis
neksa/elementary-functions
Online Supplementary Materials and scripts for the Physical Biology paper on proteins and their elementary functions
neksa/interactome
Structural Interactome pipeline
neksa/mutagene-demo
neksa/protein-sequence-motifs
Tools to derive prototypical sequence motifs of functional and structural protein units of sub-domain size
neksa/VaxDesign
A script that computationally designs a vaccine
neksa/bio_embeddings
Get protein embeddings from protein sequences
neksa/biovec
A new approach for representing biological sequences
neksa/conv_with_mpi
neksa/DeepExplain
A unified framework of perturbation and gradient-based attribution methods for Deep Neural Networks interpretability. DeepExplain also includes support for Shapley Values sampling. (ICLR 2018)
neksa/Descriptor_Calculator
neksa/Descriptor_Preprocessor
neksa/Enolase
Elementary functions in Enolase enzyme superfamily
neksa/freesasa
C-library for calculating Solvent Accessible Surface Areas
neksa/graph2vec
A parallel implementation of "graph2vec: Learning Distributed Representations of Graphs" (MLGWorkshop 2017).
neksa/int3dInterfaces
Pipeline to extract protein interfaces from Interactome3d structures
neksa/KAN
An implementation of Knowledge-aware attention networks (KAN) for protein-protein extraction task
neksa/methylation-project
neksa/ml101
intro to machine learning - reverse engineering phenomena
neksa/molecule_discovery
matter.farm, 7x7 beijing project w/ Sean Raspet
neksa/molmimic
Predict Host Pathogen Protein Protein Interactions using 3D Fully Convolutional Neural Networks
neksa/MutaBindv2.0
dataset for MutaBindv2.0
neksa/opentargets-py
Python client for the Open Targets REST API at targetvalidation.org
neksa/PDBspheres
neksa/poetry
Python dependency management and packaging made easy.
neksa/protein_family_classifier
neksa/SPServer
Assessment of the quality of protein folds and protein-protein interaction interfaces using statistical potentials
neksa/twobitreader
A fast python class for reading 2-bit files (used by UCSC genome browser)