NYUSHCS / MolecularGPT
☆30Updated 9 months ago
Alternatives and similar repositories for MolecularGPT:
Users that are interested in MolecularGPT are comparing it to the libraries listed below
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆27Updated last year
- Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning☆21Updated 6 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆64Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆18Updated 8 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆21Updated 2 years ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆16Updated last year
- ☆11Updated last year
- Molecular Hypergraph Neural Network☆35Updated 8 months ago
- ☆50Updated 10 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆67Updated 11 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆39Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated last year
- Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)☆18Updated 3 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆116Updated last year
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆19Updated 10 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆60Updated 2 months ago
- The official implementation of dual-view molecule pre-training.☆41Updated 3 years ago
- ☆46Updated 2 years ago
- Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"☆88Updated 3 weeks ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Updated last year
- A curated list of papers related to molecular diffusion models.☆25Updated 2 weeks ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 7 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆90Updated 2 years ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆61Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆50Updated 8 months ago
- ☆44Updated last year
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆41Updated 4 months ago
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆30Updated last year