GT4SD / multitask_text_and_chemistry_t5
Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
☆36Updated 5 months ago
Alternatives and similar repositories for multitask_text_and_chemistry_t5:
Users that are interested in multitask_text_and_chemistry_t5 are comparing it to the libraries listed below
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆39Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- generative model for drug discovery☆59Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 11 months ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- ☆49Updated 2 years ago
- ☆11Updated 3 years ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025☆53Updated last month
- ☆13Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆50Updated last year
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated 9 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆39Updated 10 months ago
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆87Updated last year
- A new retrieval-based framework for controllable molecule generation.☆47Updated last year
- coming soon☆28Updated last year
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆26Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 3 years ago
- Molecular Out-Of-Distribution☆37Updated last year
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 3 years ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆37Updated 7 months ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆89Updated 2 years ago
- [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning☆21Updated 4 months ago
- Chemical-Reaction-Aware Molecule Representation Learning☆76Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆106Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆41Updated last year
- Code for 'On Pre-trained Language Models For Antibody'☆32Updated 2 years ago