Abhik Seal's repositories
PDBe_KB_Queries
Using PDBe_KB queries .
Cancels
To combat a continuous specialization of datasets to what is already known, Cancels aims to identify areas in the chemical compound space that fall short and suggests additional experiments that help bridge the gap
casp
Utilities for CASP
Clinical-Trial-Search-Engine
Redefining Medical Search: The convergence of LLMs and Knowledge Bases. This project harnesses Large Language Models and a structured Knowledge Base for superior clinical trial searches, focusing on LLMs for patient data interpretation and Knowledge Bases for precise data matching.
clinical_trial_patient_matching
Repo for Zero-Shot Clinical Trial Patient Matching paper
ClinicalTrialsSE
Clinical Trials Search Engine for Information Retrieval and Recommender System Project
csd-python-api-scripts
Example scripts using the CSD Python API
deep-molecular-optimization
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
elyra-Examples
repo for elyra pipeline examples
Example_GNNS
PyTorch Geometric Signed Directed is a signed/directed graph neural network extension library for PyTorch Geometric.
lazypredict
Lazy Predict help build a lot of basic models without much code and helps understand which models works better without any parameter tuning
llms-for-trials
clinical trial outcome prediction with language models
ML-tools
ML tools that we use internally and which you may find useful too.
ml_drug_response
Introductory test codes drug response prediction with ml
Neo4J_Similarity_Search
Compound Searching using Neo4J
ParticleGrid
Grid Generation
Pfeature
Computation of features of peptides and proteins
Python_Scripts
Some Useful Scripts
reaction_yield_nn
Uncertainty-aware prediction of chemical reaction yields with graph neural networks
SELFormer
SELFormer: Molecular Representation Learning via SELFIES Language Models
ULTRA
A foundation model for knowledge graph reasoning