qbit-

yabibf

Yet Another BIBliography Formatter

ArxivPapers

Code behind Arxiv Papers

DecompDiff

The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)

ProLIF

Interaction Fingerprints for protein-ligand complexes and more

awesome-langchain

😎 Awesome list of tools and projects with the awesome LangChain framework

gpt-researcher

GPT based autonomous agent that does online comprehensive research on any given topic

babyagi-ui

BabyAGI UI is designed to make it easier to run and develop with babyagi in a web app, like a ChatGPT.

Awesome-Code-LLM

A curated list of language modeling researches for code and related datasets.

ResGen

3D_Molecular_Generation

summarize_arxv

REINVENT4

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

LLM-scientific-feedback

Can large language models provide useful feedback on research papers? A large-scale empirical analysis.

PMDM

Vina-GPU-2.1

Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening

papers-for-molecular-design-using-DL

List of molecular design using Generative AI and Deep Learning

autofragdiff

DRO-Matic

Fully Automated Hydroponic OS for DIY DRO-Matic cabinets - Nutrient dosing, irrigation, topoffs, timers, EC & pH drift fixing.

Triangulator

Implementation of the Bouchitté-Todinca algorithm for finding optimal graph triangulations

maxpre

MaxSAT preprocessor

3D-Generative-SBDD

💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)

hiddenlayer

Neural network graphs and training metrics for PyTorch, Tensorflow, and Keras.

PocketFlow

an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets

SMILES-enumeration

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

Molecular-homology

embedding_studio

Embedding Studio is a framework which allows you transform your Vector Database into a feature-rich Search Engine.

nntile

A neural network training framework within a task-based parallel programming paradigm

posebusters

Plausibility checks for generated molecule poses.

posecheck

Pose checks for 3D Structure-based Drug Design methods

twison

A Twine 2 story format that provides JSON export

freakwan

A floor-routing WAN implementing a chat over bare-LoRa (no LoRaWAN).