Dataset and benchmark for assessing LLMs in translating natural language descriptions of planning problems into PDDL

An open-source RAG-based tool for chatting with your documents.

Using gflownets to guide molecule search with multi-omic proxy models

GFlowNet library specialized for graph & molecular data

Discrete Bayesian optimization with LLMs, PEFT finetuning methods, and the Laplace approximation.

Spatio-Temporal Prediction Paper List

Code for GFlowNet-EM, a novel algorithm for fitting latent variable models with compositional latents and an intractable true posterior.

A curated list of resources about generative flow networks (GFlowNets).

MLX: An array framework for Apple silicon

Generative Flow Networks - GFlowNet

IDToolkit: A Toolkit for Benchmarking and Developing Inverse Design Algorithms in Nanophotonics, KDD'23

generative model for drug discovery

Baselines models for GuacaMol benchmarks

A Library for Gaussian Processes in Chemistry

Code supporting the paper "Weakly Supervised Learning with Assemblies of Neurons", by Dabagia, Papadimitriou, and Vempala [2021].

The official gpt4free repository | various collection of powerful language models

lolbo with added constraints using SCBO

A Python library for calculating a large variety of metrics from text

Python implementation for Combining Latent Space and Structured Kernels for Bayesian Optimization over Combinatorial Spaces.

OpenChat: Advancing Open-source Language Models with Imperfect Data

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

Code for our paper "Graph Pre-training for AMR Parsing and Generation" in ACL2022

Investigating Pretrained Language Models for Graph-to-Text Generation