IBM / regression-transformerLinks
Regression Transformer (2023; Nature Machine Intelligence)
☆157Updated 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:
- ALL Molecular ML papers from NeurIPS'24.☆58Updated 8 months ago
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆98Updated 10 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆210Updated last month
- A Transformer Based VAE Architecture for De Novo Molecular Design☆102Updated 3 years ago
- ☆58Updated last year
- Source code of the Stanford Ribonanza RNA Folding first place solution☆38Updated last year
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆265Updated last week
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆23Updated 8 months ago
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆66Updated 2 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆53Updated 2 years ago
- Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm☆71Updated 2 years ago
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆204Updated 2 years ago
- Protein structure datasets for machine learning.☆111Updated 3 months ago
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆92Updated 2 years ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆148Updated 4 years ago
- ☆38Updated 9 months ago
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆159Updated 2 years ago
- Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorc…☆162Updated 2 years ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆55Updated last year
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆121Updated 2 years ago
- ☆90Updated 2 years ago
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆213Updated 2 years ago
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆75Updated last year
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆232Updated 3 weeks ago
- ☆123Updated last year
- ☆161Updated last year
- gRNAde: Geometric Deep Learning for 3D RNA inverse design (ICLR 2025 Spotlight)☆209Updated 4 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆94Updated 7 months ago
- Implementation of ProteinBERT in Pytorch☆161Updated 3 years ago
- ☆32Updated 2 months ago