IBM / regression-transformerLinks
Regression Transformer (2023; Nature Machine Intelligence)
☆159Updated 2 months ago
Alternatives and similar repositories for regression-transformer
Users that are interested in regression-transformer are comparing it to the libraries listed below
Sorting:
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆106Updated last year
- ALL Molecular ML papers from NeurIPS'24.☆63Updated last year
- A Transformer Based VAE Architecture for De Novo Molecular Design☆102Updated 3 years ago
- Source code of the Stanford Ribonanza RNA Folding first place solution☆41Updated last year
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆220Updated 6 months ago
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆301Updated 2 months ago
- ☆58Updated last year
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆159Updated 2 years ago
- Protein structure datasets for machine learning.☆112Updated 7 months ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆57Updated 2 years ago
- ☆36Updated last year
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆248Updated 5 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆104Updated last year
- gRNAde: Geometric Deep Learning for 3D RNA inverse design (ICLR 2025 Spotlight)☆235Updated last week
- A deep learning model for small molecule drug discovery and cheminformatics based on SMILES☆175Updated 2 years ago
- Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.☆35Updated 2 years ago
- Graphium: Scaling molecular GNNs to infinity.☆237Updated 7 months ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆25Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆68Updated 2 years ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆158Updated 4 years ago
- ☆165Updated last year
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆307Updated 5 months ago
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆99Updated 2 years ago
- ☆124Updated 2 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆170Updated 2 years ago
- Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm☆76Updated 2 years ago
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆126Updated 2 years ago
- FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of pr…☆170Updated 2 years ago
- ALL Molecular ML papers from ICLR'25.☆43Updated 8 months ago
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆84Updated last year