uhlerlab / InfoCORE
Code for paper: "Removing Biases from Molecular Representations via Information Maximization"
☆20Updated last year
Alternatives and similar repositories for InfoCORE:
Users that are interested in InfoCORE are comparing it to the libraries listed below
- Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)☆61Updated 9 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆31Updated last year
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆37Updated 9 months ago
- Cross-modal generation of molecules from gene expression inputs. (Briefings in Bioinformatics 2024)☆11Updated this week
- The code for "Learning Molecular Representation in a Cell"☆31Updated 2 months ago
- RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching☆59Updated 8 months ago
- Deep learning datasets for RNA 3D and 2.5D structures.☆34Updated this week
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆93Updated 2 years ago
- Molecular Hypergraph Neural Network☆36Updated 9 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- ☆48Updated 4 months ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆40Updated last year
- Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆68Updated 6 months ago
- ☆39Updated 2 years ago
- ☆25Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 7 months ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆39Updated 6 months ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆23Updated 6 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆91Updated 2 years ago
- ☆38Updated 2 months ago
- Molecular Out-Of-Distribution☆37Updated 3 weeks ago
- Molecular Set Representation Learning☆48Updated 5 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆90Updated 5 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆57Updated last year
- ☆23Updated 3 months ago
- Aligned Diffusion Schroedinger Bridges (UAI 2023)☆12Updated last year
- [AAAI'24] DiSCO: Diffusion Schrödinger Bridge for Molecular Conformer Optimization☆15Updated 9 months ago
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆30Updated 5 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- ALL Molecular ML papers from ICLR'25.☆38Updated last month