Reverse Dependencies of selfies

The following projects have a declared dependency on selfies:

• astrochem-embedding — Language models for astrochemistry
• astrochem-ml — Cheminformatics tools for astrochemistry
• cascadia — De novo sequencing for DIA mass spectrometry data
• chebai — no summary
• chemtsv2 — ChemTSv2 is a flexible and versatile molecule generator based on reinforcement learning with natural language processing.
• craft-mol — CRAFT: Consistent Representational Fusion of Three Molecular Modalities.
• datamol — A python library to work with molecules. Built on top of RDKit.
• decimer — DECIMER 2.6.0: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer
• depthcharge-ms — A mass spectrometry toolkit for deep learning with Transformer models.
• deriver — Deriver: for all your molecule generation needs.
• diffnovo — DiffNovo: A Transformer-Diffusion Model for De Novo Peptide Sequencing
• dmol-book — Style and Imports for dmol Book
• exmol — Counterfactual generation with STONED SELFIES
• gptchem — Use GPT-3 to solve chemistry problems
• graphein — Protein & Interactomic Graph Construction for Machine Learning
• hnn-utils — Various utilities used throughout my research
• intermediate-generator — A molecular intermediate generator for relative binding free energy calculations
• janus-ga — JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design
• lbster — Language models for Biological Sequence Transformation and Evolutionary Representation.
• macaw-py — MACAW molecular embedder and generator
• maldi-nn — Deep learning tools and models for MALDI-TOF spectra analysis
• massspecgym — MassSpecGym: A benchmark for the discovery and identification of molecules
• MolTransformer — A python package for the paper: MolGen-Transformer: A molecule language model for the generation and latent space exploration of pi-conjugated molecules
• molzip — An implementation of compression-based regression and classification for molecular SMILES.
• mrl-pypi — Molecular reinforcement learning
• olorenchemengine — Oloren ChemEngine is a library for molecular property prediction, uncertainty quantification and interpretability. It includes 50+ models and molecular representations under a unified API, which achieves state-of-the-art performances on a variety of molecular property prediction tasks. The diversity of models and representations is achieved by integrating all top-performing methods in the literature as well an in-house methods.
• poli-base — poli, a library of discrete objective functions
• poli-core — poli, a library of discrete objective functions
• polyatomic-complexes — no summary
• PowerNovo — PowerNovo: A New Efficient Tool for De Novo Peptide Sequencing
• PowerNovo2 — PowerNovo2: A generative flow-based approach to non-autoregressive de novo peptide sequencing
• protein-design — Python tools for protein design
• pytoda — pytoda: PaccMann PyTorch Dataset Classes.
• schemist — Organizing and processing tables of chemical structures.
• SMILES-RNN — A scoring, benchmarking and evaluation framework for goal directed generative models
• SRgenerator — Stereo operation for chemicals based on RDkit package
• transdia — Transformer-based de novo peptide sequencing for data-independent acquisition mass spectrometry
• transformer-dia — Transformer-based de novo peptide sequencing for data-independent acquisition mass spectrometry