All Projects → chemicalx → Similar Projects or Alternatives

597 Open source projects that are alternatives of or similar to chemicalx

pysmiles
A lightweight python-only library for reading and writing SMILES strings
Stars: ✭ 95 (-46.02%)
Mutual labels:  smiles, smiles-strings
chemprop
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
Stars: ✭ 75 (-57.39%)
Mutual labels:  chemistry, drug-discovery
GLaDOS
Web Interface for ChEMBL @ EMBL-EBI
Stars: ✭ 28 (-84.09%)
Mutual labels:  chemistry, drug-discovery
Deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Stars: ✭ 3,324 (+1788.64%)
Mutual labels:  biology, drug-discovery
Yesterday I Learned
Brainfarts are caused by the rupturing of the cerebral sphincter.
Stars: ✭ 50 (-71.59%)
Mutual labels:  chemistry, biology
ALIGNet
code to train a neural network to align pairs of shapes without needing ground truth warps for supervision
Stars: ✭ 58 (-67.05%)
Mutual labels:  torch, geometric-deep-learning
cas
Cellular Automata Simulator
Stars: ✭ 22 (-87.5%)
Mutual labels:  geometry, biology
bioicons
A library of free open source icons for science illustrations in biology and chemistry
Stars: ✭ 665 (+277.84%)
Mutual labels:  chemistry, biology
py4chemoinformatics
Python for chemoinformatics
Stars: ✭ 78 (-55.68%)
Mutual labels:  chemistry, drug-discovery
Tdc
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics
Stars: ✭ 291 (+65.34%)
Mutual labels:  chemistry, biology
Chainer Chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
Stars: ✭ 462 (+162.5%)
Mutual labels:  chemistry, biology
Deep-Drug-Coder
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
Stars: ✭ 143 (-18.75%)
Mutual labels:  drug-discovery, smiles-strings
MolDQN-pytorch
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
Stars: ✭ 58 (-67.05%)
Mutual labels:  chemistry, drug-discovery
bioclipse.core
Bioclipse2 Core.
Stars: ✭ 21 (-88.07%)
Mutual labels:  chemistry, biology
GNNs-in-Network-Neuroscience
A review of papers proposing novel GNN methods with application to brain connectivity published in 2017-2020.
Stars: ✭ 92 (-47.73%)
photontorch
Highly parallel simulation and optimization of photonic circuits in time and frequency domain based on the deep-learning framework PyTorch
Stars: ✭ 29 (-83.52%)
Mutual labels:  torch
TriangleMeshDistance
Header only, single file, simple and efficient C++11 library to compute the signed distance function (SDF) to a triangle mesh
Stars: ✭ 55 (-68.75%)
Mutual labels:  geometry
flexidot
Highly customizable, ambiguity-aware dotplots for visual sequence analyses
Stars: ✭ 73 (-58.52%)
Mutual labels:  biology
Amber
Amber-ify LED torch.
Stars: ✭ 26 (-85.23%)
Mutual labels:  torch
FrogCraft-Rebirth
A standalone rewrite of FrogCraft, an IC2 Addon with theme of chemical industry, starting from scratch.
Stars: ✭ 27 (-84.66%)
Mutual labels:  chemistry
birkhoff
Euclidean plane and its relatives; a minimalist introduction.
Stars: ✭ 15 (-91.48%)
Mutual labels:  geometry
full spectrum bioinformatics
An open-access bioinformatics text
Stars: ✭ 26 (-85.23%)
Mutual labels:  biology
aquarium
The Aquarium Lab Operating System
Stars: ✭ 44 (-75%)
Mutual labels:  biology
gans-collection.torch
Torch implementation of various types of GAN (e.g. DCGAN, ALI, Context-encoder, DiscoGAN, CycleGAN, EBGAN, LSGAN)
Stars: ✭ 53 (-69.89%)
Mutual labels:  torch
jchempaint
Chemical 2D structure editor application/applet based on the Chemistry Development Kit
Stars: ✭ 84 (-52.27%)
Mutual labels:  chemistry
geometrycommands
Commandline application for manipulating geometry.
Stars: ✭ 24 (-86.36%)
Mutual labels:  geometry
lettuce
Computational Fluid Dynamics based on PyTorch and the Lattice Boltzmann Method
Stars: ✭ 74 (-57.95%)
Mutual labels:  torch
ptable trends
Python script to plot periodic trends as a heat map over the periodic table of elements
Stars: ✭ 35 (-80.11%)
Mutual labels:  chemistry
vqa-soft
Accompanying code for "A Simple Loss Function for Improving the Convergence and Accuracy of Visual Question Answering Models" CVPR 2017 VQA workshop paper.
Stars: ✭ 14 (-92.05%)
Mutual labels:  torch
pioreactor
Hardware and software for accessible, extensible, and scalable bioreactors. Built on Raspberry Pi.
Stars: ✭ 28 (-84.09%)
Mutual labels:  biology
Knowledge Graph based Intent Network
Learning Intents behind Interactions with Knowledge Graph for Recommendation, WWW2021
Stars: ✭ 116 (-34.09%)
Mutual labels:  graph-neural-network
galileo
Scala Math - Numerical (Matlab-like) and Symbolic (Mathematica-like) tool
Stars: ✭ 62 (-64.77%)
Mutual labels:  geometry
tripbot9000
Procedural generation of geometric patterns and fractals.
Stars: ✭ 22 (-87.5%)
Mutual labels:  geometry
THREEg.js
three.js addon to create special or extended geometries. The addon generates indexed or non indexed BufferGeometries.
Stars: ✭ 33 (-81.25%)
Mutual labels:  geometry
geom
Algorithms for geometric operations
Stars: ✭ 48 (-72.73%)
Mutual labels:  geometry
pytopomat
Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
Stars: ✭ 19 (-89.2%)
Mutual labels:  chemistry
GodlyTorch
[NOT MAINTAINED] An app that can control the intensity of the torch of your rooted android device.
Stars: ✭ 16 (-90.91%)
Mutual labels:  torch
spherical-cow
A high volume fraction sphere packing library
Stars: ✭ 24 (-86.36%)
Mutual labels:  geometry
tensorsem
Structural Equation Modeling using Torch
Stars: ✭ 36 (-79.55%)
Mutual labels:  torch
osu-playground
osu!Playground
Stars: ✭ 21 (-88.07%)
Mutual labels:  geometry
GPS
code for "A global pathway selection algorithm for the reduction of detailed chemical kinetic mechanisms" (Gao et al., CNF'16)
Stars: ✭ 18 (-89.77%)
Mutual labels:  chemistry
FALDO
Feature Annotation Location Description Ontology
Stars: ✭ 28 (-84.09%)
Mutual labels:  biology
vak
a neural network toolbox for animal vocalizations and bioacoustics
Stars: ✭ 21 (-88.07%)
Mutual labels:  torch
Impala
Parallel High-Performance Components for Rhino/Grasshopper
Stars: ✭ 32 (-81.82%)
Mutual labels:  geometry
AMIDD
Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
Stars: ✭ 13 (-92.61%)
Mutual labels:  drug-discovery
DIG
A library for graph deep learning research
Stars: ✭ 1,078 (+512.5%)
Mutual labels:  graph-neural-network
geoh
Transform a geoJSON into a list of geohashes that intersect with it
Stars: ✭ 26 (-85.23%)
Mutual labels:  geometry
PGS
Processing Geometry Suite
Stars: ✭ 39 (-77.84%)
Mutual labels:  geometry
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
Stars: ✭ 39 (-77.84%)
Mutual labels:  chemistry
periodic-table
Interactive Periodic Table which I made with React.js and CSS Grid. I was trying to memorize all the elements and thought, hey can I make this peculiar layout with my current CSS skills? I finally did
Stars: ✭ 92 (-47.73%)
Mutual labels:  chemistry
Unity-Int-Vectors
Library that adds Vector2i and Vector3i classes, which are integer counterparts to Vector2 and Vector3.
Stars: ✭ 23 (-86.93%)
Mutual labels:  geometry
hsn
Code for SIGGRAPH paper CNNs on Surfaces using Rotation-Equivariant Features
Stars: ✭ 71 (-59.66%)
Mutual labels:  geometric-deep-learning
DeepClassifier
DeepClassifier is aimed at building general text classification model library.It's easy and user-friendly to build any text classification task.
Stars: ✭ 25 (-85.8%)
Mutual labels:  torch
Neural-Zoom
Infinite Zoom For Style Transfer
Stars: ✭ 34 (-80.68%)
Mutual labels:  torch
torch-asg
Auto Segmentation Criterion (ASG) implemented in pytorch
Stars: ✭ 42 (-76.14%)
Mutual labels:  torch
pypoman
Python module for polyhedral geometry
Stars: ✭ 26 (-85.23%)
Mutual labels:  geometry
awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discovery
Stars: ✭ 54 (-69.32%)
Mutual labels:  drug-discovery
superellipse shape
A package for creating superellipse shapes in flutter
Stars: ✭ 34 (-80.68%)
Mutual labels:  geometry
Rcpi
Molecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.
Stars: ✭ 22 (-87.5%)
Mutual labels:  drug-discovery
jenn3d
A Toy for Visualizing Coxeter Polytopes
Stars: ✭ 39 (-77.84%)
Mutual labels:  geometry
1-60 of 597 similar projects