Generative Toolkit 4 Scientific Discovery

gt4sd-core

GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.

zero-shot-bert-adapters

Implementation of Z-BERT-A: a zero-shot pipeline for unknown intent detection.

multitask_text_and_chemistry_t5

Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023

molgx-core

IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.

he-compliant-approximation

Homomorphic encryption compliant learnable approximation

lm-assistant-for-biocatalysis

This project focuses on streamlining and automating key tasks in protein modeling, optimization, and the design of experiments for biocatalyzed reactions

molecular-design

Generative AI pipeline for target-based molecular design

molecule-generation

Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation

pinns-experiments

reinvent_models

GT4SD fork of Reinvent Models

gt4sd-trainer-hf-pl

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

mtl4ad

Repository to fine-tune various LLMs architectures for AD on a multi-task datasets.

.github

Special repository hosting the organization profile.

domain-adaptive-patent-classifier

gt4sd-molformer

guacamol_baselines

Baselines models for GuacaMol benchmarks

reinvent-models

scipy_proceedings

Tools used to generate the SciPy conference proceedings

enzeptional

Enzeptional stand-alone python package

TDC

Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development