Skip to content
View SergeiNikolenko's full-sized avatar
🍓
🍓
5 followers · 11 following

Achievements

Achievement: Pull Shark

Achievements

Achievement: Pull Shark

Highlights

  • Pro

Block or report SergeiNikolenko

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
SergeiNikolenko/README.md

Sergei Nikolenko

👋 Hi there! I'm Sergei Nikolenko, a medicinal chemist deeply involved in computer-aided drug design. My passion lies in advancing molecular modeling and cheminformatics, using innovative technology to tackle intricate issues in the fields of medicine and pharmacology.

🌐 Explore my projects | Review my resume

🛠 Tech Stack

My technical expertise spans a wide array of tools and programming languages, enabling me to address diverse challenges in my field:

  • Programming Languages:
    • Python: A versatile tool for data analysis, molecular modeling, and machine learning tasks.
  • Molecular Modeling & Chemistry:
    • RDKit, Chemprop, ACE, DeepMD, BioPython
    • Molecular Dynamics: GROMACS, LAMMPS, Vina
    • Quantum Chemistry: MOPAC, ORCA, VASP
  • Machine Learning & Data Science:
    • Frameworks: PyTorch, TensorFlow
    • Libraries: scikit-learn, Cat/XGBoost, cuml, cudf
    • Data Handling: NumPy, Pandas
  • Utilities:
    • Job Scheduling: SLURM, screen
    • Scripting: Bash scripts for streamlining processes

💬 Personal Development & Community Engagement

I am a proactive member of the scientific community, dedicated to continuous learning and knowledge sharing:

  • Languages: Fluent in English (Upper-Intermediate) and Russian (native), enabling effective international collaboration.
  • Kaggle: Achieved Expert status through active participation in data science competitions, honing my skills in real-world challenges. View my Kaggle profile

🌐 Connect With Me

Interested in my work or considering collaboration? Here's how you can reach me:

I'm always eager to explore new opportunities and ideas within medicinal chemistry and related domains. Feel free to get in touch!

Pinned Loading

  1. LPCE LPCE Public

    The LPCE project is designed to purify and process PDB structures to extract and filter ligands and remove unwanted components such as water molecules and junk ligands.

    Jupyter Notebook

  2. fukui_index_prediction fukui_index_prediction Public

    This project develops a machine learning model using Chebyshev graph convolutions within a Kernel-based Attention Network (KAN) to accurately predict Fukui indices, which are essential for assessin…

    Jupyter Notebook

  3. ChemRar ChemRar Public

    The project aims to build and evaluate machine learning models for predicting the biological activity of molecules. Both graph neural networks (GCN, GAT, GIN) and the XGBoost model based on molecul…

    Jupyter Notebook

  4. ksitest ksitest Public

    The goal is to impute STR (Short Tandem Repeats) data from SNP (Single Nucleotide Polymorphisms) data for Holstein cows, which is critical in verifying the genetic relationship between animals for …

    Jupyter Notebook