[AAAI'25 Oral] "RFL: Simplifying Chemical Structure Recognition with Ring-Free Language".
☆20Jun 14, 2025Updated 8 months ago
Alternatives and similar repositories for RFL-MSD
Users that are interested in RFL-MSD are comparing it to the libraries listed below
Sorting:
- ☆10Jun 7, 2025Updated 8 months ago
- ☆17Nov 3, 2025Updated 4 months ago
- Implementation of Paper 'Rectangling Panoramic Images via Warping',the development environment is VS2019.☆10Jul 10, 2024Updated last year
- OMNI-P2x: A universal neural network potential for excited states☆12Feb 26, 2026Updated last week
- A handwritten Chemical Structure Image data set named EDU-CHEMC, which consists of totally 52,987 handwritten molecular structure images …☆14May 12, 2025Updated 9 months ago
- [ICLR-2026] Official Implementation of our paper "THOR: Tool-Integrated Hierarchical Optimization via RL for Mathematical Reasoning".☆31Feb 26, 2026Updated last week
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆16Jun 19, 2025Updated 8 months ago
- Toolkit for synthesis planning☆35Jan 23, 2026Updated last month
- 『Pythonで動かしてはじめる量子化学計算』(コロナ社,2024)☆24Jun 5, 2024Updated last year
- Computational Chemistry☆26Jul 11, 2025Updated 7 months ago
- ☆26Oct 26, 2022Updated 3 years ago
- Free Parametrization for Small Molecules☆50Feb 18, 2026Updated 2 weeks ago
- A Chemistry Toolkit that turns your AI assistant into a Chemistry coscientist..☆54Jun 9, 2025Updated 8 months ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 3 months ago
- ☆10May 22, 2024Updated last year
- Synthetic Accessibility via Fragment Assembly Generation☆19Feb 1, 2026Updated last month
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆28Nov 20, 2025Updated 3 months ago
- ☆12Mar 28, 2025Updated 11 months ago
- Grid Generation☆11Mar 7, 2024Updated last year
- A Nextflow pipeline that creates reliable, structure-informed MSAs of thousands of protein sequences which can supplement structural info…☆11Nov 19, 2025Updated 3 months ago
- Repository of IPBench☆19Jan 4, 2026Updated 2 months ago
- AIMNet2: Fast and accurate machine-learned interatomic potential for molecular dynamics simulations☆64Updated this week
- ☆55Aug 26, 2025Updated 6 months ago
- ☆51Mar 24, 2025Updated 11 months ago
- Application of deep generative model discovers novel and diverse functional peptides against microbial resistance☆11Dec 22, 2022Updated 3 years ago
- COSMOSS is a Coupled OScillator MOdel Spectrum Simulator☆10Jun 20, 2021Updated 4 years ago
- ☆11Jul 17, 2023Updated 2 years ago
- Automated Complex Generator☆14Dec 16, 2024Updated last year
- [NeurIPS 2025] Official code for "Tropical Attention: Neural Algorithmic Reasoning for Combinatorial Algorithms"☆23Oct 23, 2025Updated 4 months ago
- GBM implementation on Legate☆14Jan 28, 2026Updated last month
- 尝试用基于值函数逼近的强化学习方 法玩经典的马里奥游戏,取得了一定成果☆11Jul 21, 2021Updated 4 years ago
- ☆11Aug 13, 2025Updated 6 months ago
- Mixture of Expert (MoE) techniques for enhancing LLM performance through expert-driven prompt mapping and adapter combinations.☆12Feb 11, 2024Updated 2 years ago
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated last year
- SketchEl 2 as a cross platform desktop web application☆10Dec 12, 2022Updated 3 years ago
- Fast search index for SPLADE sparse retrieval models implemented in Python using Numpy and Numba☆35Oct 16, 2025Updated 4 months ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- Generating Summaries with Controllable Readability Levels (EMNLP 2023)☆15Aug 6, 2025Updated 6 months ago