Akhil Sanker's repositories
admet_ai
Training and prediction scripts for Chemprop models trained on ADMET datasets
aizynthfinder
A tool for retrosynthetic planning
amazon-elasticache-samples
Samples and documentation for using the Amazon ElastiCache Redis and Memcached
Bio-Epidemiology-NER
Recognize bio-medical entities from a text corpus
BioCreativeVII_DrugProt
A Sequence Labeling Framework for Extracting Drug-Protein Relations
BLAST-bioinfor-tool
Python implementation of Basic Local Alignment Search Tool (BLAST) , which is the core algorithm in sequence alignment for genomes.
caviar
// PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
chemopy
Clone of ChemoPy package with depracation errors fixed.
deepFMPOv3D
Implementation of Shape and Electrostatic similarity metric in deepFMPO.
descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
DiffSBDD
A Euclidean diffusion model for structure-based drug design.
druggpt
DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins
Fooocus
Focus on prompting and generating
gromacs-docker
Dockerfile for GROMACS
minGPT
A minimal PyTorch re-implementation of the OpenAI GPT (Generative Pretrained Transformer) training
Multi-BioNER
Cross-type Biomedical Named Entity Recognition with Deep Multi-task Learning (Bioinformatics'19)
ngl
WebGL protein viewer
Pocket2Mol
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
pymysql-pool
A simple but robust connection pool (with multiplexing) base on PyMySQL, mainly used for multi threads mode, which also compatible with single thread mode.
rdkit
The official sources for the RDKit library
sentence-transformers
Multilingual Sentence & Image Embeddings with BERT
stanza
Official Stanford NLP Python Library for Many Human Languages
torchdrug
A powerful and flexible machine learning platform for drug discovery