Peter-obi

Automated_ABFE

Graph_neural_networks_molecular_discovery

MD_simulation_agents

Working repository for running MD simulations using LLM agents

Kolmogorov-Arnold-Networks-KANs-mlx

random_scripts

DDPMs-for-membrane-partitioning

Denoising diffusion probabilistic models for membrane partitioning

RAG_mlx_llama_index

Run Retrival Augmented Generation using local mlx models and llama index

Video_summarization_mlx

Transcribe and summarize videos using whisper and llms on apple mlx framework

pandas-ai

Chat with your data (SQL, CSV, pandas, polars, noSQL, etc). PandasAI makes data analysis conversational

chroma

A generative model for programmable protein design

voice-assistant

Voice assistant using apple mlx_framework

rdkit_scripts

Rdkit scripts for a bunch of stuff

Diffusion_model_for_RNA_Drug_Discovery

Working repository for repurposing protein diffusion models for RNAs

pfgmpp

Code for ICML 2023 paper, "PFGM++: Unlocking the Potential of Physics-Inspired Generative Models"

Scoring-protein-ligand-interactions

Large-langugage-models

Convolutional-variational-autoencoder-for-clustering-MD-simulations

Generative-models

GPCR_activation_analysis

Transmembrane_analysis_project

Drug_discovery

pyKvfinder_scripts