Aleksei Krasnov's repositories
absorption_tauc_plot
Process UV-Vis absorption spectra, make Tauc transformation for direct/indirect allowed transition, extract band gap values for corresponding transition type, and plot figures
band_edge_potentials_calculator
Calculation of the edge potentials of valence and conduction bands. The band edge potentials are in normalized hydrogen scale.
ABAG_BioBERT
NER Model for Antibody-Antigen entities, fine-tuned with pre-trained BioBERT
ai4chem_course
EPFL CH-457 "AI for chemistry"
alien_invasion_game
Alien Invasion Game - it is my study project from book "Python Crash Course" by Eric Matthes.
andan_2023
Do you have some data?
BandGapPredictor
Predict the band gap energy for inorganic materials
biocatalysis-model
RXN for biochemical reactions
BioPhi
BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluation (OASis) and an interface for computer-assisted antibody sequence design.
calculation-oxygen-index
Calculate the oxygen index in non-stoichiometric oxide-based materials according to the charge balance rule
chemical-reaction-data
This project introduces a comprehensive yet lightweight package to facilitate the downloading, extraction and preparation of open-source chemical reaction data.
ChemRxnExtractor
Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)
first-contributions
🚀✨ Help beginners to contribute to open source projects
impedance_data_processing
Python script that automatically processes csv (.txt) files recorded by RLC impedance meter.
ml_classifiers
Provide the best ML classifiers and compare their perfomance
pipeline_with_random_forest
Pipeline that takes data from the database (SQLite), prepares the data, makes predictions using the trained model, and saves the result of the predictions to a new table.
DECIMER-Image_Transformer
DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer
interview_questions
Java Developer Interview Preparation Materials
personal_data_detector
Detect personal data in text with LLM
reaction_utils
Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
reactiondataextractor2
This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
ReactionMiner
Repository for the EMNLP 2023 Demo Paper "Reaction Miner: An Integrated System for Chemical Reaction Extraction from Textual Data"
sherrer_calculator
XRD Crystallite (grain) Size Calculator (Scherrer Equation)
text-mined-synthesis_public
Codes for text-mined solid-state reactions dataset