Your Name

Loghman Samani

Computational Biologist

Diffusion Models • Energy-Based Models • Protein Design • Moleculr Dynamics • Machine Learning

About

I hold a master’s degree in computational biology from the University of Stuttgart and am currently seeking research or PhD positions that combine computational biology with machine learning. My academic training has focused on building quantitative and principled models for biological systems, with a strong emphasis on methodological clarity and reproducibility.

My research centers on computational structural biology, particularly generative modeling for protein structure design, structure prediction, and molecular dynamics. I am especially interested in physics aware and geometry aware generative models, including energy based and diffusion based approaches. My goal is to develop models that respect the underlying physical constraints of biomolecular systems and contribute to a deeper, mechanistic understanding of protein folding and conformational dynamics.

Computational Structural Biology Molecular Dynamics Generative AI Protein Modeling Statistical Physics

Projects

CppNet: High-Performance Deep Learning in C++

CppNet is a C++ deep learning library for building and training neural networks with a focus on performance and transparency. It supports efficient tensor operations via Eigen, CPU parallelism with OpenMP, and GPU acceleration using CUDA.

C++ • Eigen • OpenMP • CUDA

View on GitHub →

TorchDiff: Diffusion Models in PyTorch

A PyTorch library for building and experimenting with diffusion-based generative models. Implements DDPM, DDIM, score-based SDE models, latent diffusion, and UnCLIP, with support for both conditional and unconditional generation.

Python • PyTorch • Diffusion Models

View on GitHub →

GRN-Designer: Spatial Gene Regulatory Networks

Computational framework for automated design and analysis of gene regulatory networks with spatial structure. Uses hybrid evolutionary and gradient-based optimization to generate GRNs that reproduce predefined spatial expression patterns.

Python • Optimization • PDEs

Master’s Thesis Project

Deep Learning Models From Scratch

Implementation of core deep learning architectures from first principles, including MLPs, CNNs, RNNs with LSTMs, and Transformers. Covers optimization methods and regularization techniques with a focus on conceptual clarity and correctness.

Python • Neural Networks • Optimization

Coursework and Implementations

Biostoch: Stochastic Biological Simulation

Python library for simulating biological systems using deterministic and stochastic formulations. Implements ODE solvers and stochastic reaction models to study cellular and biochemical dynamics under intrinsic noise.

Python • ODEs • Stochastic Simulation

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SmartSolve: Classical Machine Learning Toolkit

Python library for implementing and evaluating classical machine learning models. Provides a unified workflow for preprocessing, training, and evaluation across a range of supervised and unsupervised methods.

Python • Machine Learning • Model Evaluation

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Writing

Understanding Diffusion Models: From Physics to Molecular Dynamics
A deep dive into score-based generative models and their applications in computational biology
Medium • 12 min read • Read on Medium →
Why Machine Learning Will Transform Drug Discovery
Exploring how generative AI accelerates molecular design and reduces time-to-market for therapeutics
Medium • 8 min read • Read on Medium →
From AlphaFold to Flow Matching: The Evolution of Protein Structure Prediction
Tracing the development of AI methods for understanding protein structures and their biological functions
Medium • 10 min read • Read on Medium →